2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid

C12H20N2O5 — CID 61194163

IUPAC2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid
SMILESCN(C(=O)NC(CCC(=O)O)C(=O)O)C1CCCC1
InChIInChI=1S/C12H20N2O5/c1-14(8-4-2-3-5-8)12(19)13-9(11(17)18)6-7-10(15)16/h8-9H,2-7H2,1H3,(H,13,19)(H,15,16)(H,17,18)
InChIKeyPXUSDZQFARBBCV-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.89
Rot. Bonds6

About 2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid

2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid (PubChem CID 61194163) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid
PubChem CID61194163
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid
SMILESCN(C(=O)NC(CCC(=O)O)C(=O)O)C1CCCC1
InChIInChI=1S/C12H20N2O5/c1-14(8-4-2-3-5-8)12(19)13-9(11(17)18)6-7-10(15)16/h8-9H,2-7H2,1H3,(H,13,19)(H,15,16)(H,17,18)
InChIKeyPXUSDZQFARBBCV-UHFFFAOYSA-N
XLogP0.89
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-5-amino-2-[[cyclopentyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61195271
5-amino-2-[[cycloheptyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61201089
(2R)-2-[[cyclopentyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566149
(2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107143266
2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid
CID 61201099
2-[[cycloheptyl(methyl)carbamoyl]amino]butanoic acid
CID 61201094
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909826
(2S)-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]pentanedioic acid
CID 63657379
(2R)-5-amino-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830602
5-amino-2-[[methyl(piperidin-4-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 61408490
(2R)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909881
(2R)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 107827539

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid?
The IUPAC name of 2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid (CID 61194163) is 2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid?
The canonical SMILES for 2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid is CN(C(=O)NC(CCC(=O)O)C(=O)O)C1CCCC1.
What is the InChIKey of 2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid?
The InChIKey is PXUSDZQFARBBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-14(8-4-2-3-5-8)12(19)13-9(11(17)18)6-7-10(15)16/h8-9H,2-7H2,1H3,(H,13,19)(H,15,16)(H,17,18).
What are the key properties of 2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid?
2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid has a molecular weight of 272.30 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid is sourced from PubChem (CID 61194163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).