4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid

C14H15F2NO3 — CID 124700868

IUPAC4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F
InChIInChI=1S/C14H15F2NO3/c15-8-3-4-9(12(16)6-8)10-7-11(10)14(20)17-5-1-2-13(18)19/h3-4,6,10-11H,1-2,5,7H2,(H,17,20)(H,18,19)/t10-,11+/m0/s1
InChIKeyVWOZZCQBWUDCBY-WDEREUQCSA-N
MW283.27 g/mol
LogP2.05
Rot. Bonds6

About 4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid

4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid (PubChem CID 124700868) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is 4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid
PubChem CID124700868
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F
InChIInChI=1S/C14H15F2NO3/c15-8-3-4-9(12(16)6-8)10-7-11(10)14(20)17-5-1-2-13(18)19/h3-4,6,10-11H,1-2,5,7H2,(H,17,20)(H,18,19)/t10-,11+/m0/s1
InChIKeyVWOZZCQBWUDCBY-WDEREUQCSA-N
XLogP2.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119432498
3-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119177424
3-[[(1S,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704684
cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[3-(methanesulfonamido)propyl]cyclopropane-1-carboxamide
CID 96533325
4-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119352986
2-(2,4-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclopropane-1-carboxamide
CID 111433991
cis-(1R,2S)-N-[2-(cyclopropylmethoxy)ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 95625521
cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 97076812
3-[[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704689
4-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid
CID 129415418
2-(2,4-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119536420
2-(2,4-difluorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide
CID 119557840

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid?
The IUPAC name of 4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid (CID 124700868) is 4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid?
The canonical SMILES for 4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid is O=C(O)CCCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F.
What is the InChIKey of 4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid?
The InChIKey is VWOZZCQBWUDCBY-WDEREUQCSA-N. The full InChI is InChI=1S/C14H15F2NO3/c15-8-3-4-9(12(16)6-8)10-7-11(10)14(20)17-5-1-2-13(18)19/h3-4,6,10-11H,1-2,5,7H2,(H,17,20)(H,18,19)/t10-,11+/m0/s1.
What are the key properties of 4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid?
4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid has a molecular weight of 283.27 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid is sourced from PubChem (CID 124700868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).