cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid

C8H13NO3 — CID 106320767

IUPACcis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
SMILESCC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C8H13NO3/c1-5(10)9-7-3-2-6(4-7)8(11)12/h6-7H,2-4H2,1H3,(H,9,10)(H,11,12)/t6-,7+/m1/s1
InChIKeyRTROTIBCXIREDW-RQJHMYQMSA-N
MW171.20 g/mol
LogP0.38
Rot. Bonds2

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

cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid (PubChem CID 106320767) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
PubChem CID106320767
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Namecis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
SMILESCC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C8H13NO3/c1-5(10)9-7-3-2-6(4-7)8(11)12/h6-7H,2-4H2,1H3,(H,9,10)(H,11,12)/t6-,7+/m1/s1
InChIKeyRTROTIBCXIREDW-RQJHMYQMSA-N
XLogP0.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,3R)-3-methylcyclohexane-1-carboxylic acid;N-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 158462495
methyl 3-acetamidocyclopentane-1-carboxylate
CID 67383463
cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 97030816
N-[(1R,3S)-3-(methylamino)cyclopentyl]acetamide
CID 139574017
3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid
CID 66033141
3-[(2,2-difluoroacetyl)amino]cyclopentane-1-carboxylic acid
CID 103513356
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
N-(3,6-dimethylcycloheptyl)acetamide
CID 89468976
3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764
cis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106320505
3-[[2-(cyclopropylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031562
N-(2,7-dimethyloxepan-4-yl)acetamide
CID 175623510

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid (CID 106320767) is cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid is CC(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid?
The InChIKey is RTROTIBCXIREDW-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(10)9-7-3-2-6(4-7)8(11)12/h6-7H,2-4H2,1H3,(H,9,10)(H,11,12)/t6-,7+/m1/s1.
What are the key properties of cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).