tert-butyl N-[5-[1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-1H-pyridin-3-yl]carbamate

C24H33N5O5 — CID 162479025

IUPACtert-butyl N-[5-[1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-1H-pyridin-3-yl]carbamate
SMILESCc1c(C(CC2CC2)C(=O)N[C@H](C#N)C[C@@H]2CCNC2=O)c[nH]c(=O)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C24H33N5O5/c1-13-18(12-27-22(32)19(13)29-23(33)34-24(2,3)4)17(9-14-5-6-14)21(31)28-16(11-25)10-15-7-8-26-20(15)30/h12,14-17H,5-10H2,1-4H3,(H,26,30)(H,27,32)(H,28,31)(H,29,33)/t15-,16-,17?/m0/s1
InChIKeyVTCGHWUXJBIRKU-PYNWJHIZSA-N
MW471.56 g/mol
LogP2.45
Rot. Bonds8

About tert-butyl N-[5-[1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-1H-pyridin-3-yl]carbamate

tert-butyl N-[5-[1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-1H-pyridin-3-yl]carbamate (PubChem CID 162479025) has the molecular formula C24H33N5O5 and a molecular weight of 471.56 g/mol. Its IUPAC name is tert-butyl N-[5-[1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-1H-pyridin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-1H-pyridin-3-yl]carbamate
PubChem CID162479025
Molecular FormulaC24H33N5O5
Molecular Weight471.56 g/mol
Exact Mass471.25
IUPAC Nametert-butyl N-[5-[1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-1H-pyridin-3-yl]carbamate
SMILESCc1c(C(CC2CC2)C(=O)N[C@H](C#N)C[C@@H]2CCNC2=O)c[nH]c(=O)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C24H33N5O5/c1-13-18(12-27-22(32)19(13)29-23(33)34-24(2,3)4)17(9-14-5-6-14)21(31)28-16(11-25)10-15-7-8-26-20(15)30/h12,14-17H,5-10H2,1-4H3,(H,26,30)(H,27,32)(H,28,31)(H,29,33)/t15-,16-,17?/m0/s1
InChIKeyVTCGHWUXJBIRKU-PYNWJHIZSA-N
XLogP2.45
TPSA153.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[5-[1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-1H-pyridin-3-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate
CID 162478760
(2S)-N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-3,3-dimethyl-2-(methylamino)butanamide
CID 166975891
2-[[3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoic acid
CID 175458087
tert-butyl N-[3-hydroxy-4-(methylamino)-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamate
CID 157044319
[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid
CID 175458558
tert-butyl N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-4-en-2-yl]carbamate
CID 162695922
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoic acid
CID 91506525
tert-butyl (3S)-3-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]carbamoyl]-4-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperazine-1-carboxylate
CID 166149099
tert-butyl N-[(2S)-3,4,4-trihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]carbamate
CID 166936770
ethane;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoate
CID 142046248
N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-formamidoacetamide
CID 167482163
N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]cyclohexanecarboxamide
CID 162396392

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-1H-pyridin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[5-[1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-1H-pyridin-3-yl]carbamate (CID 162479025) is tert-butyl N-[5-[1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-1H-pyridin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-1H-pyridin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-[1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-1H-pyridin-3-yl]carbamate is Cc1c(C(CC2CC2)C(=O)N[C@H](C#N)C[C@@H]2CCNC2=O)c[nH]c(=O)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[5-[1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-1H-pyridin-3-yl]carbamate?
The InChIKey is VTCGHWUXJBIRKU-PYNWJHIZSA-N. The full InChI is InChI=1S/C24H33N5O5/c1-13-18(12-27-22(32)19(13)29-23(33)34-24(2,3)4)17(9-14-5-6-14)21(31)28-16(11-25)10-15-7-8-26-20(15)30/h12,14-17H,5-10H2,1-4H3,(H,26,30)(H,27,32)(H,28,31)(H,29,33)/t15-,16-,17?/m0/s1.
What are the key properties of tert-butyl N-[5-[1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-1H-pyridin-3-yl]carbamate?
tert-butyl N-[5-[1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-1H-pyridin-3-yl]carbamate has a molecular weight of 471.56 g/mol, XLogP of 2.45, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-1H-pyridin-3-yl]carbamate is sourced from PubChem (CID 162479025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).