(2R)-4-methyl-2-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid

C18H30N2O4 — CID 119364518

IUPAC(2R)-4-methyl-2-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C1CC(=O)N(C2CCC(C)CC2)C1)C(=O)O
InChIInChI=1S/C18H30N2O4/c1-11(2)8-15(18(23)24)19-17(22)13-9-16(21)20(10-13)14-6-4-12(3)5-7-14/h11-15H,4-10H2,1-3H3,(H,19,22)(H,23,24)/t12?,13?,14?,15-/m1/s1
InChIKeyNRXHSHWSYMWAPG-MLGYPOCJSA-N
MW338.45 g/mol
LogP2.03
Rot. Bonds6

About (2R)-4-methyl-2-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid

(2R)-4-methyl-2-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid (PubChem CID 119364518) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2R)-4-methyl-2-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
PubChem CID119364518
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name(2R)-4-methyl-2-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C1CC(=O)N(C2CCC(C)CC2)C1)C(=O)O
InChIInChI=1S/C18H30N2O4/c1-11(2)8-15(18(23)24)19-17(22)13-9-16(21)20(10-13)14-6-4-12(3)5-7-14/h11-15H,4-10H2,1-3H3,(H,19,22)(H,23,24)/t12?,13?,14?,15-/m1/s1
InChIKeyNRXHSHWSYMWAPG-MLGYPOCJSA-N
XLogP2.03
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-4-methyl-2-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid with MolForge

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Related Compounds

2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
CID 43630818
2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 43469521
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 43353286
2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoic acid
CID 43356547
N-(3-amino-2-methylpropyl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119997130
N-(1-aminohexan-2-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 119665181
N-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119585859
(2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 61155168
(2S)-2-[[(3R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 125119938
4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 119170704
N-[2-(ethylamino)ethyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119504992
(2R)-2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363195

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid (CID 119364518) is (2R)-4-methyl-2-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid is CC(C)C[C@@H](NC(=O)C1CC(=O)N(C2CCC(C)CC2)C1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid?
The InChIKey is NRXHSHWSYMWAPG-MLGYPOCJSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-11(2)8-15(18(23)24)19-17(22)13-9-16(21)20(10-13)14-6-4-12(3)5-7-14/h11-15H,4-10H2,1-3H3,(H,19,22)(H,23,24)/t12?,13?,14?,15-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid?
(2R)-4-methyl-2-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid has a molecular weight of 338.45 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 119364518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).