3-[(3,5-difluorophenyl)carbamoylamino]propanoic acid

C10H10F2N2O3 — CID 61189395

IUPAC3-[(3,5-difluorophenyl)carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C10H10F2N2O3/c11-6-3-7(12)5-8(4-6)14-10(17)13-2-1-9(15)16/h3-5H,1-2H2,(H,15,16)(H2,13,14,17)
InChIKeyMLUNBZNZXBAEPV-UHFFFAOYSA-N
MW244.20 g/mol
LogP1.56
Rot. Bonds4

About 3-[(3,5-difluorophenyl)carbamoylamino]propanoic acid

3-[(3,5-difluorophenyl)carbamoylamino]propanoic acid (PubChem CID 61189395) has the molecular formula C10H10F2N2O3 and a molecular weight of 244.20 g/mol. Its IUPAC name is 3-[(3,5-difluorophenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3,5-difluorophenyl)carbamoylamino]propanoic acid
PubChem CID61189395
Molecular FormulaC10H10F2N2O3
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Name3-[(3,5-difluorophenyl)carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C10H10F2N2O3/c11-6-3-7(12)5-8(4-6)14-10(17)13-2-1-9(15)16/h3-5H,1-2H2,(H,15,16)(H2,13,14,17)
InChIKeyMLUNBZNZXBAEPV-UHFFFAOYSA-N
XLogP1.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(3,5-difluorophenyl)carbamoylamino]hexanoic acid
CID 61189558
3-[(3,5-dichlorophenyl)carbamoylamino]propanoic acid
CID 28511134
4-[(3,5-difluorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 114007145
3-[(3-bromo-5-methylphenyl)carbamoylamino]propanoic acid
CID 107576602
3-[(4-ethyl-3-fluorophenyl)carbamoylamino]propanoic acid
CID 122087500
(2S)-2-[(3,5-difluorophenyl)carbamoylamino]pentanedioic acid
CID 61189405
3-[(3-iodo-5-methylphenyl)carbamoylamino]propanoic acid
CID 122093342
4-(3,5-difluoroanilino)butanoic acid
CID 18072381
2-[(3-chloro-5-fluorophenyl)carbamoylamino]acetic acid
CID 107368671
3-[(4-chloro-3,5-dimethoxyphenyl)carbamoylamino]propanoic acid
CID 122095209
4-[(3,5-dihydroxyphenyl)carbamoylamino]butanoic acid
CID 108895385
6-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]hexanoic acid
CID 107576493

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluorophenyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(3,5-difluorophenyl)carbamoylamino]propanoic acid (CID 61189395) is 3-[(3,5-difluorophenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(3,5-difluorophenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(3,5-difluorophenyl)carbamoylamino]propanoic acid is O=C(O)CCNC(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 3-[(3,5-difluorophenyl)carbamoylamino]propanoic acid?
The InChIKey is MLUNBZNZXBAEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O3/c11-6-3-7(12)5-8(4-6)14-10(17)13-2-1-9(15)16/h3-5H,1-2H2,(H,15,16)(H2,13,14,17).
What are the key properties of 3-[(3,5-difluorophenyl)carbamoylamino]propanoic acid?
3-[(3,5-difluorophenyl)carbamoylamino]propanoic acid has a molecular weight of 244.20 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluorophenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 61189395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).