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

C16H20N2O4 — CID 120677359

IUPACcis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(=O)NCc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C16H20N2O4/c1-10(19)17-9-11-2-4-12(5-3-11)15(20)18-14-7-6-13(8-14)16(21)22/h2-5,13-14H,6-9H2,1H3,(H,17,19)(H,18,20)(H,21,22)/t13-,14+/m1/s1
InChIKeyILPDZQLKMPJSCN-KGLIPLIRSA-N
MW304.35 g/mol
LogP1.31
Rot. Bonds5

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

cis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120677359) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120677359
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Namecis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(=O)NCc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C16H20N2O4/c1-10(19)17-9-11-2-4-12(5-3-11)15(20)18-14-7-6-13(8-14)16(21)22/h2-5,13-14H,6-9H2,1H3,(H,17,19)(H,18,20)(H,21,22)/t13-,14+/m1/s1
InChIKeyILPDZQLKMPJSCN-KGLIPLIRSA-N
XLogP1.31
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676313
4-(acetamidomethyl)-N-(4-methylcyclohexyl)benzamide
CID 17431349
cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 114173152
4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide
CID 119456323
4-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229257
4-[(carbamoylamino)methyl]-N-(3-methylcyclopentyl)benzamide
CID 114549437
3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043093
4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 60809354
4-(acetamidomethyl)-N-piperidin-3-ylbenzamide
CID 119425557
cis-(1R,3S)-3-[[4-(phenylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678421
methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate
CID 110465113
4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 166193453

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid (CID 120677359) is cis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid is CC(=O)NCc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1.
What is the InChIKey of cis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is ILPDZQLKMPJSCN-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-10(19)17-9-11-2-4-12(5-3-11)15(20)18-14-7-6-13(8-14)16(21)22/h2-5,13-14H,6-9H2,1H3,(H,17,19)(H,18,20)(H,21,22)/t13-,14+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 1.31, 5 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-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120677359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).