cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid

C14H17NO4 — CID 114173152

IUPACcis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(CO)cc1
InChIInChI=1S/C14H17NO4/c16-8-9-1-3-10(4-2-9)13(17)15-12-6-5-11(7-12)14(18)19/h1-4,11-12,16H,5-8H2,(H,15,17)(H,18,19)/t11-,12+/m1/s1
InChIKeyIWIGKXIOPBZXSA-NEPJUHHUSA-N
MW263.29 g/mol
LogP1.16
Rot. Bonds4

About cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 114173152) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID114173152
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namecis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(CO)cc1
InChIInChI=1S/C14H17NO4/c16-8-9-1-3-10(4-2-9)13(17)15-12-6-5-11(7-12)14(18)19/h1-4,11-12,16H,5-8H2,(H,15,17)(H,18,19)/t11-,12+/m1/s1
InChIKeyIWIGKXIOPBZXSA-NEPJUHHUSA-N
XLogP1.16
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 60809354
cis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677359
cis-(1R,3S)-3-[[4-(phenylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678421
N-cyclopentyl-4-(hydroxymethyl)benzamide
CID 60636896
cis-(1S,3R)-3-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676313
3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043093
cis-(1R,3S)-3-[[4-(cyclopropylmethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120679122
4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 60809682
4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 166193453
3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032521
cis-(1S,3R)-3-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676160
cis-(1S,3R)-3-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120675005

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid (CID 114173152) is cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(CO)cc1.
What is the InChIKey of cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is IWIGKXIOPBZXSA-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H17NO4/c16-8-9-1-3-10(4-2-9)13(17)15-12-6-5-11(7-12)14(18)19/h1-4,11-12,16H,5-8H2,(H,15,17)(H,18,19)/t11-,12+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114173152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).