(2S)-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]pentanedioic acid

C13H22N2O5 — CID 63657379

IUPAC(2S)-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]pentanedioic acid
SMILESCN(CC1CCCC1)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-15(8-9-4-2-3-5-9)13(20)14-10(12(18)19)6-7-11(16)17/h9-10H,2-8H2,1H3,(H,14,20)(H,16,17)(H,18,19)/t10-/m0/s1
InChIKeyMPJAYBPYLGGBQY-JTQLQIEISA-N
MW286.33 g/mol
LogP1.14
Rot. Bonds7

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

(2S)-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]pentanedioic acid (PubChem CID 63657379) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2S)-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]pentanedioic acid
PubChem CID63657379
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name(2S)-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]pentanedioic acid
SMILESCN(CC1CCCC1)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-15(8-9-4-2-3-5-9)13(20)14-10(12(18)19)6-7-11(16)17/h9-10H,2-8H2,1H3,(H,14,20)(H,16,17)(H,18,19)/t10-/m0/s1
InChIKeyMPJAYBPYLGGBQY-JTQLQIEISA-N
XLogP1.14
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanedioic acid
CID 63707575
(2S)-5-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61443524
(2S)-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]pentanedioic acid
CID 63274978
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 63656361
2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanedioic acid
CID 79311373
(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756889
5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid
CID 82848349
2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]pentanedioic acid
CID 63859361
2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid
CID 61194163
(2S)-4-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63717742
(2R)-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80757557
(2R)-4-amino-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107827597

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]pentanedioic acid?
The IUPAC name of (2S)-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]pentanedioic acid (CID 63657379) is (2S)-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]pentanedioic acid is CN(CC1CCCC1)C(=O)N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]pentanedioic acid?
The InChIKey is MPJAYBPYLGGBQY-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N2O5/c1-15(8-9-4-2-3-5-9)13(20)14-10(12(18)19)6-7-11(16)17/h9-10H,2-8H2,1H3,(H,14,20)(H,16,17)(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]pentanedioic acid?
(2S)-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]pentanedioic acid has a molecular weight of 286.33 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]pentanedioic acid is sourced from PubChem (CID 63657379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).