(3R)-3-(cyclohexanecarbonylamino)butanoic acid

C11H19NO3 — CID 51885508

IUPAC(3R)-3-(cyclohexanecarbonylamino)butanoic acid
SMILESC[C@H](CC(=O)O)NC(=O)C1CCCCC1
InChIInChI=1S/C11H19NO3/c1-8(7-10(13)14)12-11(15)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChIKeyRDQVGLDLIKZCOJ-MRVPVSSYSA-N
MW213.28 g/mol
LogP1.55
Rot. Bonds4

About (3R)-3-(cyclohexanecarbonylamino)butanoic acid

(3R)-3-(cyclohexanecarbonylamino)butanoic acid (PubChem CID 51885508) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (3R)-3-(cyclohexanecarbonylamino)butanoic acid.

Molecular Properties

Compound Name(3R)-3-(cyclohexanecarbonylamino)butanoic acid
PubChem CID51885508
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(3R)-3-(cyclohexanecarbonylamino)butanoic acid
SMILESC[C@H](CC(=O)O)NC(=O)C1CCCCC1
InChIInChI=1S/C11H19NO3/c1-8(7-10(13)14)12-11(15)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChIKeyRDQVGLDLIKZCOJ-MRVPVSSYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]butanoic acid
CID 119221469
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
3-(piperidine-4-carbonylamino)butanoic acid
CID 61161192
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid
CID 119244671
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603
5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691
3-(oxane-3-carbonylamino)butanoic acid
CID 62759193
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
3-[(1-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 53216017
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid
CID 43172733
(2R)-2-[3-(cyclohexanecarbonylamino)butanoylamino]-4-methylpentanoic acid
CID 119363720
N-(5-aminohexan-2-yl)cyclohexanecarboxamide
CID 134308456

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(cyclohexanecarbonylamino)butanoic acid?
The IUPAC name of (3R)-3-(cyclohexanecarbonylamino)butanoic acid (CID 51885508) is (3R)-3-(cyclohexanecarbonylamino)butanoic acid.
What is the SMILES notation for (3R)-3-(cyclohexanecarbonylamino)butanoic acid?
The canonical SMILES for (3R)-3-(cyclohexanecarbonylamino)butanoic acid is C[C@H](CC(=O)O)NC(=O)C1CCCCC1.
What is the InChIKey of (3R)-3-(cyclohexanecarbonylamino)butanoic acid?
The InChIKey is RDQVGLDLIKZCOJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(7-10(13)14)12-11(15)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,12,15)(H,13,14)/t8-/m1/s1.
What are the key properties of (3R)-3-(cyclohexanecarbonylamino)butanoic acid?
(3R)-3-(cyclohexanecarbonylamino)butanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(cyclohexanecarbonylamino)butanoic acid is sourced from PubChem (CID 51885508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).