cis-(1R,3S)-3-[3-(2,3-difluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid

C15H17F2NO3 — CID 120678802

IUPACcis-(1R,3S)-3-[3-(2,3-difluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCc1cccc(F)c1F)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H17F2NO3/c16-12-3-1-2-9(14(12)17)5-7-13(19)18-11-6-4-10(8-11)15(20)21/h1-3,10-11H,4-8H2,(H,18,19)(H,20,21)/t10-,11+/m1/s1
InChIKeyMALOLBUFNQYONR-MNOVXSKESA-N
MW297.30 g/mol
LogP2.27
Rot. Bonds5

About cis-(1R,3S)-3-[3-(2,3-difluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[3-(2,3-difluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 120678802) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is cis-(1R,3S)-3-[3-(2,3-difluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[3-(2,3-difluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID120678802
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Namecis-(1R,3S)-3-[3-(2,3-difluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCc1cccc(F)c1F)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H17F2NO3/c16-12-3-1-2-9(14(12)17)5-7-13(19)18-11-6-4-10(8-11)15(20)21/h1-3,10-11H,4-8H2,(H,18,19)(H,20,21)/t10-,11+/m1/s1
InChIKeyMALOLBUFNQYONR-MNOVXSKESA-N
XLogP2.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-difluorophenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386108
trans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 97318343
4-[3-(2,4-difluorophenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 162632420
3-[3-(7-methyl-1H-indol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 75498111
cis-(1R,3S)-3-[3-(4-ethylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 106321351
cis-(1R,3S)-3-[3-(1-methylindol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678962
cis-(1R,3S)-3-[3-[(2-phenylacetyl)amino]propanoylamino]cyclopentane-1-carboxylic acid
CID 120678404
cis-(1R,3S)-3-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678122
3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107013675
cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid
CID 120676488
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide
CID 110819444
4-[(2,3-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61209411

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[3-(2,3-difluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[3-(2,3-difluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid (CID 120678802) is cis-(1R,3S)-3-[3-(2,3-difluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[3-(2,3-difluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[3-(2,3-difluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid is O=C(CCc1cccc(F)c1F)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[3-(2,3-difluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is MALOLBUFNQYONR-MNOVXSKESA-N. The full InChI is InChI=1S/C15H17F2NO3/c16-12-3-1-2-9(14(12)17)5-7-13(19)18-11-6-4-10(8-11)15(20)21/h1-3,10-11H,4-8H2,(H,18,19)(H,20,21)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[3-(2,3-difluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[3-(2,3-difluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 297.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[3-(2,3-difluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).