(2R)-5-amino-2-[(1-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid

C13H23N3O4 — CID 107830897

IUPAC(2R)-5-amino-2-[(1-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
SMILESCC1(CNC(=O)N[C@H](CCC(N)=O)C(=O)O)CCCC1
InChIInChI=1S/C13H23N3O4/c1-13(6-2-3-7-13)8-15-12(20)16-9(11(18)19)4-5-10(14)17/h9H,2-8H2,1H3,(H2,14,17)(H,18,19)(H2,15,16,20)/t9-/m1/s1
InChIKeyMGTLWDQGOYNPRP-SECBINFHSA-N
MW285.34 g/mol
LogP0.58
Rot. Bonds7

About (2R)-5-amino-2-[(1-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid

(2R)-5-amino-2-[(1-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid (PubChem CID 107830897) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2R)-5-amino-2-[(1-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(1-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
PubChem CID107830897
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name(2R)-5-amino-2-[(1-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
SMILESCC1(CNC(=O)N[C@H](CCC(N)=O)C(=O)O)CCCC1
InChIInChI=1S/C13H23N3O4/c1-13(6-2-3-7-13)8-15-12(20)16-9(11(18)19)4-5-10(14)17/h9H,2-8H2,1H3,(H2,14,17)(H,18,19)(H2,15,16,20)/t9-/m1/s1
InChIKeyMGTLWDQGOYNPRP-SECBINFHSA-N
XLogP0.58
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-methyl-2-[(1-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 63830703
5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid
CID 114618020
(2S)-5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid
CID 104940138
(2S)-5-amino-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 104596611
5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid
CID 103995632
(2R)-5-amino-2-[(1-ethylcyclobutyl)carbamoylamino]-5-oxopentanoic acid
CID 107831122
(2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid
CID 61209238
(2S)-5-amino-2-(benzylcarbamoylamino)-5-oxopentanoic acid
CID 61181145
(2S)-2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 107164845
5-amino-2-(butylcarbamoylamino)-5-oxopentanoic acid
CID 43210525
(2S)-2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 107164775
(2R)-5-amino-2-[(3-methylthiophen-2-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107831006

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(1-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(1-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid (CID 107830897) is (2R)-5-amino-2-[(1-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(1-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(1-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid is CC1(CNC(=O)N[C@H](CCC(N)=O)C(=O)O)CCCC1.
What is the InChIKey of (2R)-5-amino-2-[(1-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid?
The InChIKey is MGTLWDQGOYNPRP-SECBINFHSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-13(6-2-3-7-13)8-15-12(20)16-9(11(18)19)4-5-10(14)17/h9H,2-8H2,1H3,(H2,14,17)(H,18,19)(H2,15,16,20)/t9-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(1-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(1-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.58, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(1-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 107830897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).