(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid

C13H22N2O4 — CID 119244671

IUPAC(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid
SMILESCC(CC(=O)N[C@H](C)C(=O)O)NC(=O)C1CCCC1
InChIInChI=1S/C13H22N2O4/c1-8(7-11(16)15-9(2)13(18)19)14-12(17)10-5-3-4-6-10/h8-10H,3-7H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)/t8?,9-/m1/s1
InChIKeyOBFRITAEPMPCJC-YGPZHTELSA-N
MW270.33 g/mol
LogP0.66
Rot. Bonds6

About (2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid

(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid (PubChem CID 119244671) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid
PubChem CID119244671
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid
SMILESCC(CC(=O)N[C@H](C)C(=O)O)NC(=O)C1CCCC1
InChIInChI=1S/C13H22N2O4/c1-8(7-11(16)15-9(2)13(18)19)14-12(17)10-5-3-4-6-10/h8-10H,3-7H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)/t8?,9-/m1/s1
InChIKeyOBFRITAEPMPCJC-YGPZHTELSA-N
XLogP0.66
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
(2R)-2-[3-(cyclohexanecarbonylamino)butanoylamino]-4-methylpentanoic acid
CID 119363720
methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate
CID 95609074
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid
CID 119367850
2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid
CID 119225683
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119589615
N-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 120831062
N-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119500807
N-(1-hydroxypropan-2-yl)cyclobutanecarboxamide
CID 43418906
3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]butanoic acid
CID 119221469
(2S)-2-[[(2S)-2-(cyclopentanecarbonylamino)-3-methylbutanoyl]amino]propanoic acid
CID 54371595
2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid
CID 119225718

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid?
The IUPAC name of (2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid (CID 119244671) is (2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid is CC(CC(=O)N[C@H](C)C(=O)O)NC(=O)C1CCCC1.
What is the InChIKey of (2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid?
The InChIKey is OBFRITAEPMPCJC-YGPZHTELSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-8(7-11(16)15-9(2)13(18)19)14-12(17)10-5-3-4-6-10/h8-10H,3-7H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid?
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid has a molecular weight of 270.33 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid is sourced from PubChem (CID 119244671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).