2-[(1S,2S)-2-acetamidocyclobutyl]acetic acid

C8H13NO3 — CID 178194580

IUPAC2-[(1S,2S)-2-acetamidocyclobutyl]acetic acid
SMILESCC(=O)N[C@H]1CC[C@H]1CC(=O)O
InChIInChI=1S/C8H13NO3/c1-5(10)9-7-3-2-6(7)4-8(11)12/h6-7H,2-4H2,1H3,(H,9,10)(H,11,12)/t6-,7-/m0/s1
InChIKeyRRPDBHJORBWGMJ-BQBZGAKWSA-N
MW171.20 g/mol
LogP0.38
Rot. Bonds3

About 2-[(1S,2S)-2-acetamidocyclobutyl]acetic acid

2-[(1S,2S)-2-acetamidocyclobutyl]acetic acid (PubChem CID 178194580) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-[(1S,2S)-2-acetamidocyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,2S)-2-acetamidocyclobutyl]acetic acid
PubChem CID178194580
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-[(1S,2S)-2-acetamidocyclobutyl]acetic acid
SMILESCC(=O)N[C@H]1CC[C@H]1CC(=O)O
InChIInChI=1S/C8H13NO3/c1-5(10)9-7-3-2-6(7)4-8(11)12/h6-7H,2-4H2,1H3,(H,9,10)(H,11,12)/t6-,7-/m0/s1
InChIKeyRRPDBHJORBWGMJ-BQBZGAKWSA-N
XLogP0.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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 2-[(1S,2S)-2-acetamidocyclobutyl]acetic 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

2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
CID 11401026
N-[2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide
CID 21304144
N-(2-ethylcyclopentyl)acetamide
CID 130891213
N-[(1S,2R)-2-ethylcyclohexyl]acetamide
CID 162400753
2-(3-acetamidocyclobutyl)acetic acid
CID 154928575
N-[(1S,2S)-2-ethylcycloheptyl]acetamide
CID 668218
2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]acetic acid
CID 34176591
N-(5-acetamido-2-bicyclo[2.2.1]heptanyl)acetamide
CID 67204731
N-(2,3-dimethylcyclopentyl)acetamide
CID 64922482
ethyl 2-[[(2S)-2-acetamidocyclohexyl]methyl]prop-2-enoate
CID 134860047
N-[(3aR,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]acetamide
CID 15015135
2-[2-(aminomethyl)cyclobutyl]acetic acid
CID 129286668

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-acetamidocyclobutyl]acetic acid?
The IUPAC name of 2-[(1S,2S)-2-acetamidocyclobutyl]acetic acid (CID 178194580) is 2-[(1S,2S)-2-acetamidocyclobutyl]acetic acid.
What is the SMILES notation for 2-[(1S,2S)-2-acetamidocyclobutyl]acetic acid?
The canonical SMILES for 2-[(1S,2S)-2-acetamidocyclobutyl]acetic acid is CC(=O)N[C@H]1CC[C@H]1CC(=O)O.
What is the InChIKey of 2-[(1S,2S)-2-acetamidocyclobutyl]acetic acid?
The InChIKey is RRPDBHJORBWGMJ-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(10)9-7-3-2-6(7)4-8(11)12/h6-7H,2-4H2,1H3,(H,9,10)(H,11,12)/t6-,7-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-acetamidocyclobutyl]acetic acid?
2-[(1S,2S)-2-acetamidocyclobutyl]acetic acid has a molecular weight of 171.20 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-acetamidocyclobutyl]acetic acid is sourced from PubChem (CID 178194580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).