tert-butyl N-[3-hydroxy-4-(methylamino)-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamate

C14H25N3O5 — CID 157044319

IUPACtert-butyl N-[3-hydroxy-4-(methylamino)-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamate
SMILESCNC(=O)C(O)C(CC1CCNC1=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H25N3O5/c1-14(2,3)22-13(21)17-9(10(18)12(20)15-4)7-8-5-6-16-11(8)19/h8-10,18H,5-7H2,1-4H3,(H,15,20)(H,16,19)(H,17,21)
InChIKeyAAHVFYGIUSKUCZ-UHFFFAOYSA-N
MW315.37 g/mol
LogP-0.49
Rot. Bonds5

About tert-butyl N-[3-hydroxy-4-(methylamino)-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamate

tert-butyl N-[3-hydroxy-4-(methylamino)-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamate (PubChem CID 157044319) has the molecular formula C14H25N3O5 and a molecular weight of 315.37 g/mol. Its IUPAC name is tert-butyl N-[3-hydroxy-4-(methylamino)-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-hydroxy-4-(methylamino)-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamate
PubChem CID157044319
Molecular FormulaC14H25N3O5
Molecular Weight315.37 g/mol
Exact Mass315.18
IUPAC Nametert-butyl N-[3-hydroxy-4-(methylamino)-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamate
SMILESCNC(=O)C(O)C(CC1CCNC1=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H25N3O5/c1-14(2,3)22-13(21)17-9(10(18)12(20)15-4)7-8-5-6-16-11(8)19/h8-10,18H,5-7H2,1-4H3,(H,15,20)(H,16,19)(H,17,21)
InChIKeyAAHVFYGIUSKUCZ-UHFFFAOYSA-N
XLogP-0.49
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-[[3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoic acid
CID 175458087
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
2-hydroxy-3-[hydroxy(methyl)amino]-N-methyl-4-(2-oxopyrrolidin-3-yl)butanamide
CID 157044307
methyl 2-[[3-cyclobutyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 175458211
2-[1-(benzylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]benzoic acid
CID 175424458
tert-butyl N-[(2S)-1-[(6S)-6-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]carbamoyl]-5-azaspiro[2.4]heptan-5-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 167430324
tert-butyl N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(1,1,3,3-tetrafluoropropan-2-yloxy)butan-2-yl]carbamate
CID 166170476
tert-butyl N-[(2-oxopyrrolidin-3-yl)methyl]carbamate
CID 105467597
tert-butyl N-[(2S)-1-[(3S)-1-deuterio-2-oxopyrrolidin-3-yl]-3-hydroxypropan-2-yl]carbamate
CID 59038106

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-hydroxy-4-(methylamino)-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-hydroxy-4-(methylamino)-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamate (CID 157044319) is tert-butyl N-[3-hydroxy-4-(methylamino)-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-hydroxy-4-(methylamino)-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-hydroxy-4-(methylamino)-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamate is CNC(=O)C(O)C(CC1CCNC1=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-hydroxy-4-(methylamino)-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamate?
The InChIKey is AAHVFYGIUSKUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O5/c1-14(2,3)22-13(21)17-9(10(18)12(20)15-4)7-8-5-6-16-11(8)19/h8-10,18H,5-7H2,1-4H3,(H,15,20)(H,16,19)(H,17,21).
What are the key properties of tert-butyl N-[3-hydroxy-4-(methylamino)-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamate?
tert-butyl N-[3-hydroxy-4-(methylamino)-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamate has a molecular weight of 315.37 g/mol, XLogP of -0.49, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-hydroxy-4-(methylamino)-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamate is sourced from PubChem (CID 157044319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).