(2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid

C12H21N3O4 — CID 104937664

IUPAC(2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
SMILESCC1CCC(NC(=O)N[C@@H](CCC(N)=O)C(=O)O)C1
InChIInChI=1S/C12H21N3O4/c1-7-2-3-8(6-7)14-12(19)15-9(11(17)18)4-5-10(13)16/h7-9H,2-6H2,1H3,(H2,13,16)(H,17,18)(H2,14,15,19)/t7?,8?,9-/m0/s1
InChIKeyYCIFMKCXUVZBQJ-HACHORDNSA-N
MW271.32 g/mol
LogP0.19
Rot. Bonds6

About (2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid

(2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 104937664) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
PubChem CID104937664
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name(2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
SMILESCC1CCC(NC(=O)N[C@@H](CCC(N)=O)C(=O)O)C1
InChIInChI=1S/C12H21N3O4/c1-7-2-3-8(6-7)14-12(19)15-9(11(17)18)4-5-10(13)16/h7-9H,2-6H2,1H3,(H2,13,16)(H,17,18)(H2,14,15,19)/t7?,8?,9-/m0/s1
InChIKeyYCIFMKCXUVZBQJ-HACHORDNSA-N
XLogP0.19
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 61199710
(2S)-3-hydroxy-2-[(3-methylcyclopentyl)carbamoylamino]propanoic acid
CID 104937677
(2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid
CID 107830466
5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 64743920
(2R)-5-amino-2-[(2-methyloxolan-3-yl)carbamoylamino]-5-oxopentanoic acid
CID 114006113
2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732149
(2R)-5-methoxy-2-[(3-methylcyclobutyl)carbamoylamino]-5-oxopentanoic acid
CID 114005833
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
(2S)-5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-5-oxopentanoic acid
CID 61201562
(2R)-4-amino-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-oxobutanoic acid
CID 107828111
(2S)-5-amino-5-oxo-2-(thian-3-ylcarbamoylamino)pentanoic acid
CID 113364258
(2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 107830518

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid (CID 104937664) is (2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid is CC1CCC(NC(=O)N[C@@H](CCC(N)=O)C(=O)O)C1.
What is the InChIKey of (2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is YCIFMKCXUVZBQJ-HACHORDNSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-7-2-3-8(6-7)14-12(19)15-9(11(17)18)4-5-10(13)16/h7-9H,2-6H2,1H3,(H2,13,16)(H,17,18)(H2,14,15,19)/t7?,8?,9-/m0/s1.
What are the key properties of (2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.19, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 104937664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).