[(2S)-3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate

C19H31N3O5 — CID 175379863

IUPAC[(2S)-3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate
SMILESCC1(C)CC(CC(C=O)NC(=O)[C@H](CC2CCCCC2)OC(N)=O)C(=O)N1
InChIInChI=1S/C19H31N3O5/c1-19(2)10-13(16(24)22-19)9-14(11-23)21-17(25)15(27-18(20)26)8-12-6-4-3-5-7-12/h11-15H,3-10H2,1-2H3,(H2,20,26)(H,21,25)(H,22,24)/t13?,14?,15-/m0/s1
InChIKeyPJNXBEZCHNXVRS-NRXISQOPSA-N
MW381.47 g/mol
LogP1.41
Rot. Bonds8

About [(2S)-3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate

[(2S)-3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate (PubChem CID 175379863) has the molecular formula C19H31N3O5 and a molecular weight of 381.47 g/mol. Its IUPAC name is [(2S)-3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S)-3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate
PubChem CID175379863
Molecular FormulaC19H31N3O5
Molecular Weight381.47 g/mol
Exact Mass381.23
IUPAC Name[(2S)-3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate
SMILESCC1(C)CC(CC(C=O)NC(=O)[C@H](CC2CCCCC2)OC(N)=O)C(=O)N1
InChIInChI=1S/C19H31N3O5/c1-19(2)10-13(16(24)22-19)9-14(11-23)21-17(25)15(27-18(20)26)8-12-6-4-3-5-7-12/h11-15H,3-10H2,1-2H3,(H2,20,26)(H,21,25)(H,22,24)/t13?,14?,15-/m0/s1
InChIKeyPJNXBEZCHNXVRS-NRXISQOPSA-N
XLogP1.41
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate
CID 175380204
[2-(3-chlorophenyl)-1-phenylethyl] N-[3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 175379760
tert-butyl N-[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]carbamate
CID 167481864
[3-cyclohexyl-1-[[4-(cyclopropylamino)-1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-hydroxy-4-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
CID 175379901
methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(5,5-dimethyl-2-oxopyrrolidin-3-yl)propanoate
CID 162479406
(3-chlorophenyl)methyl N-[(2S)-3-cyclohexyl-1-[[1-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 156884012
methyl 2-[[(2S)-2-[[2-[(3-chlorophenyl)methyl]cyclopentyl]oxycarbonylamino]-3-cyclohexylpropanoyl]amino]-3-(5,5-dimethyl-2-oxopyrrolidin-3-yl)propanoate
CID 156883607
(2S)-2-[[(2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(5,5-dimethyl-2-oxopyrrolidin-3-yl)propanoic acid
CID 175458218
methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]amino]-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]propanoate
CID 166893082
ethyl N-[(2S)-1-cyclohexyl-3-oxopropan-2-yl]carbamate
CID 131720506
methyl (2S)-3-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 162479345
methyl (2S)-2-[[(2S)-4,4-dimethyl-2-(methylamino)pentanoyl]amino]-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]propanoate
CID 166893534

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate?
The IUPAC name of [(2S)-3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate (CID 175379863) is [(2S)-3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate.
What is the SMILES notation for [(2S)-3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate?
The canonical SMILES for [(2S)-3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate is CC1(C)CC(CC(C=O)NC(=O)[C@H](CC2CCCCC2)OC(N)=O)C(=O)N1.
What is the InChIKey of [(2S)-3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate?
The InChIKey is PJNXBEZCHNXVRS-NRXISQOPSA-N. The full InChI is InChI=1S/C19H31N3O5/c1-19(2)10-13(16(24)22-19)9-14(11-23)21-17(25)15(27-18(20)26)8-12-6-4-3-5-7-12/h11-15H,3-10H2,1-2H3,(H2,20,26)(H,21,25)(H,22,24)/t13?,14?,15-/m0/s1.
What are the key properties of [(2S)-3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate?
[(2S)-3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate has a molecular weight of 381.47 g/mol, XLogP of 1.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate is sourced from PubChem (CID 175379863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).