cis-(1R,3R)-3-acetamido-1-phenylcyclopentane-1-carboxylic acid

C14H17NO3 — CID 815452

IUPACcis-(1R,3R)-3-acetamido-1-phenylcyclopentane-1-carboxylic acid
SMILESCC(=O)N[C@@H]1CC[C@](C(=O)O)(c2ccccc2)C1
InChIInChI=1S/C14H17NO3/c1-10(16)15-12-7-8-14(9-12,13(17)18)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,16)(H,17,18)/t12-,14-/m1/s1
InChIKeyBBNRPFXNYBFATO-TZMCWYRMSA-N
MW247.29 g/mol
LogP1.70
Rot. Bonds3

About cis-(1R,3R)-3-acetamido-1-phenylcyclopentane-1-carboxylic acid

cis-(1R,3R)-3-acetamido-1-phenylcyclopentane-1-carboxylic acid (PubChem CID 815452) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is cis-(1R,3R)-3-acetamido-1-phenylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3R)-3-acetamido-1-phenylcyclopentane-1-carboxylic acid
PubChem CID815452
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namecis-(1R,3R)-3-acetamido-1-phenylcyclopentane-1-carboxylic acid
SMILESCC(=O)N[C@@H]1CC[C@](C(=O)O)(c2ccccc2)C1
InChIInChI=1S/C14H17NO3/c1-10(16)15-12-7-8-14(9-12,13(17)18)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,16)(H,17,18)/t12-,14-/m1/s1
InChIKeyBBNRPFXNYBFATO-TZMCWYRMSA-N
XLogP1.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-1-phenylcyclohexane-1-carboxylic acid
CID 23294898
4-fluoro-1-phenylcyclohexane-1-carboxylic acid
CID 83853907
cis-(1R,3R)-3-anilino-1-phenylcyclopentane-1-carboxylate
CID 6944468
4-oxo-1-phenylcyclohexane-1,3-dicarboxylic acid
CID 69423547
1-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 82765677
N-(1-hydroxy-1-phenyl-3,4-dihydro-2H-naphthalen-2-yl)acetamide
CID 101100863
3-ethyl-1-phenylcyclobutane-1-carboxylic acid
CID 65000498
4-hydroxy-1-(4-methylphenyl)cyclohexane-1-carboxylic acid
CID 83714976
N-[(2S,6R)-2,6-dibenzyloxan-4-yl]acetamide
CID 50960068
methyl 4-[(2-amino-2-oxoethyl)amino]-1-phenylcyclohexane-1-carboxylate
CID 18789777
1-[4-(cyclopropylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557949
N-(4,4-dimethylcyclohexyl)acetamide;hydrochloride
CID 156735738

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-3-acetamido-1-phenylcyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3R)-3-acetamido-1-phenylcyclopentane-1-carboxylic acid (CID 815452) is cis-(1R,3R)-3-acetamido-1-phenylcyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3R)-3-acetamido-1-phenylcyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3R)-3-acetamido-1-phenylcyclopentane-1-carboxylic acid is CC(=O)N[C@@H]1CC[C@](C(=O)O)(c2ccccc2)C1.
What is the InChIKey of cis-(1R,3R)-3-acetamido-1-phenylcyclopentane-1-carboxylic acid?
The InChIKey is BBNRPFXNYBFATO-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10(16)15-12-7-8-14(9-12,13(17)18)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,16)(H,17,18)/t12-,14-/m1/s1.
What are the key properties of cis-(1R,3R)-3-acetamido-1-phenylcyclopentane-1-carboxylic acid?
cis-(1R,3R)-3-acetamido-1-phenylcyclopentane-1-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-3-acetamido-1-phenylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 815452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).