2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid

C16H26N2O4 — CID 119225718

IUPAC2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid
SMILESCC(NC(=O)C1CCC(NC(=O)C2CCCC2)CC1)C(=O)O
InChIInChI=1S/C16H26N2O4/c1-10(16(21)22)17-14(19)12-6-8-13(9-7-12)18-15(20)11-4-2-3-5-11/h10-13H,2-9H2,1H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyQDXRLYFCGDWWDE-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.44
Rot. Bonds5

About 2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid

2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid (PubChem CID 119225718) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid
PubChem CID119225718
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid
SMILESCC(NC(=O)C1CCC(NC(=O)C2CCCC2)CC1)C(=O)O
InChIInChI=1S/C16H26N2O4/c1-10(16(21)22)17-14(19)12-6-8-13(9-7-12)18-15(20)11-4-2-3-5-11/h10-13H,2-9H2,1H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyQDXRLYFCGDWWDE-UHFFFAOYSA-N
XLogP1.44
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid
CID 119225683
3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]butanoic acid
CID 119221469
(2S,3S)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-3-methylpentanoic acid
CID 119194354
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 47400512
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-cyclopropylcycloheptanecarboxamide
CID 62778853
(2S)-2-[[(2S)-2-(cyclopentanecarbonylamino)-3-methylbutanoyl]amino]propanoic acid
CID 54371595
cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679065
(2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid
CID 119368013
2-(cyclohexylcarbamothioylamino)propanoic acid
CID 4134493
(2R)-2-(cyclohexylcarbamothioylamino)propanoic acid
CID 40571788
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid
CID 119244671

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid?
The IUPAC name of 2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid (CID 119225718) is 2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid is CC(NC(=O)C1CCC(NC(=O)C2CCCC2)CC1)C(=O)O.
What is the InChIKey of 2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid?
The InChIKey is QDXRLYFCGDWWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-10(16(21)22)17-14(19)12-6-8-13(9-7-12)18-15(20)11-4-2-3-5-11/h10-13H,2-9H2,1H3,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid?
2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid has a molecular weight of 310.39 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 119225718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).