1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid

C14H14FNO3 — CID 129380118

IUPAC1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)CC1
InChIInChI=1S/C14H14FNO3/c15-9-3-1-2-8(6-9)10-7-11(10)16-12(17)14(4-5-14)13(18)19/h1-3,6,10-11H,4-5,7H2,(H,16,17)(H,18,19)/t10-,11-/m1/s1
InChIKeyIEKPRKTUZZLXOF-GHMZBOCLSA-N
MW263.27 g/mol
LogP1.66
Rot. Bonds4

About 1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid

1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 129380118) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID129380118
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)CC1
InChIInChI=1S/C14H14FNO3/c15-9-3-1-2-8(6-9)10-7-11(10)16-12(17)14(4-5-14)13(18)19/h1-3,6,10-11H,4-5,7H2,(H,16,17)(H,18,19)/t10-,11-/m1/s1
InChIKeyIEKPRKTUZZLXOF-GHMZBOCLSA-N
XLogP1.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-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

4-(aminomethyl)-N-[2-(3-fluorophenyl)cyclopropyl]oxane-4-carboxamide
CID 120928202
cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124779019
1-[[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122012282
(2R)-2-amino-N-[2-(3-fluorophenyl)cyclopropyl]propanamide
CID 119305805
N-[2-(3-fluorophenyl)cyclopropyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 75364366
3-[[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]carbamoyl-methylamino]propanoic acid
CID 122012276
(2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide
CID 95179447
(2R)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide
CID 124734525
2-(dimethylamino)-N-[2-(3-fluorophenyl)cyclopropyl]-2-phenylacetamide
CID 71883326
1-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-methylguanidine
CID 122082343
2-[3-[[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]amino]-3-oxopropyl]benzoic acid
CID 120613723
2-amino-N-[2-(3-fluorophenyl)cyclopropyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120790129

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 129380118) is 1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)CC1.
What is the InChIKey of 1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is IEKPRKTUZZLXOF-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H14FNO3/c15-9-3-1-2-8(6-9)10-7-11(10)16-12(17)14(4-5-14)13(18)19/h1-3,6,10-11H,4-5,7H2,(H,16,17)(H,18,19)/t10-,11-/m1/s1.
What are the key properties of 1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid?
1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 263.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 129380118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).