cis-(1S,3R)-3-(3-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid

C16H27NO3 — CID 120676482

IUPACcis-(1S,3R)-3-(3-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid
SMILESCC(CC(=O)N[C@@H]1CC[C@H](C(=O)O)C1)C1CCCCC1
InChIInChI=1S/C16H27NO3/c1-11(12-5-3-2-4-6-12)9-15(18)17-14-8-7-13(10-14)16(19)20/h11-14H,2-10H2,1H3,(H,17,18)(H,19,20)/t11?,13-,14+/m0/s1
InChIKeyBVZPJMUDSREUDV-SBKAZOPESA-N
MW281.40 g/mol
LogP2.96
Rot. Bonds5

About cis-(1S,3R)-3-(3-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-(3-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 120676482) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is cis-(1S,3R)-3-(3-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-(3-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid
PubChem CID120676482
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Namecis-(1S,3R)-3-(3-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid
SMILESCC(CC(=O)N[C@@H]1CC[C@H](C(=O)O)C1)C1CCCCC1
InChIInChI=1S/C16H27NO3/c1-11(12-5-3-2-4-6-12)9-15(18)17-14-8-7-13(10-14)16(19)20/h11-14H,2-10H2,1H3,(H,17,18)(H,19,20)/t11?,13-,14+/m0/s1
InChIKeyBVZPJMUDSREUDV-SBKAZOPESA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66031744
3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66031106
(3S)-3-cyclohexyl-N-[(1R,3R)-3-methylsulfanylcyclohexyl]butanamide
CID 100614916
3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66030515
cis-(1R,3S)-3-(3-propan-2-yloxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120678543
3-(3-methylpentanoylamino)cyclohexane-1-carboxylic acid
CID 114873705
cis-(1R,3S)-3-[(2-cyclopropylacetyl)amino]cyclopentane-1-carboxylic acid
CID 106320836
cis-(1S,3R)-3-(4-propan-2-yloxybutanoylamino)cyclopentane-1-carboxylic acid
CID 120690511
3-[[2-(cyclopropylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031562
cis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid
CID 106320958
trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 58431127
cis-(1R,3S)-3-[[3-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 114173475

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(3-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-(3-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid (CID 120676482) is cis-(1S,3R)-3-(3-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-(3-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-(3-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid is CC(CC(=O)N[C@@H]1CC[C@H](C(=O)O)C1)C1CCCCC1.
What is the InChIKey of cis-(1S,3R)-3-(3-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is BVZPJMUDSREUDV-SBKAZOPESA-N. The full InChI is InChI=1S/C16H27NO3/c1-11(12-5-3-2-4-6-12)9-15(18)17-14-8-7-13(10-14)16(19)20/h11-14H,2-10H2,1H3,(H,17,18)(H,19,20)/t11?,13-,14+/m0/s1.
What are the key properties of cis-(1S,3R)-3-(3-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-(3-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(3-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).