3-[tert-butyl-[(3-fluorophenyl)carbamoyl]amino]propanoic acid

C14H19FN2O3 — CID 61030209

IUPAC3-[tert-butyl-[(3-fluorophenyl)carbamoyl]amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H19FN2O3/c1-14(2,3)17(8-7-12(18)19)13(20)16-11-6-4-5-10(15)9-11/h4-6,9H,7-8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyDWPIFXKIHHSRNI-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.93
Rot. Bonds4

About 3-[tert-butyl-[(3-fluorophenyl)carbamoyl]amino]propanoic acid

3-[tert-butyl-[(3-fluorophenyl)carbamoyl]amino]propanoic acid (PubChem CID 61030209) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-[tert-butyl-[(3-fluorophenyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-[(3-fluorophenyl)carbamoyl]amino]propanoic acid
PubChem CID61030209
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name3-[tert-butyl-[(3-fluorophenyl)carbamoyl]amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H19FN2O3/c1-14(2,3)17(8-7-12(18)19)13(20)16-11-6-4-5-10(15)9-11/h4-6,9H,7-8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyDWPIFXKIHHSRNI-UHFFFAOYSA-N
XLogP2.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[tert-butyl-[(3-fluorophenyl)carbamoyl]amino]propanoic 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

3-[tert-butyl-[(4-methylphenyl)carbamoyl]amino]propanoic acid
CID 60828619
3-[tert-butyl-[(4-chlorophenyl)carbamoyl]amino]propanoic acid
CID 60828115
3-[tert-butyl-[(2-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid
CID 61200310
1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
1-tert-butyl-1-ethyl-3-(3-hydroxyphenyl)urea
CID 108895856
3-[[3-(1,1-difluoroethyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 122090864
3-[[3-(3-fluoroanilino)-3-oxopropyl]disulfanyl]-N-(3-fluorophenyl)propanamide
CID 44817242
3-[[3-(3-fluoroanilino)-3-oxopropyl]amino]propanoic acid
CID 43466320
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
1-[(2S)-butan-2-yl]-3-(3-fluorophenyl)-1-methylurea
CID 52662031
1-benzyl-1-tert-butyl-3-[3-(trifluoromethyl)phenyl]urea
CID 3487348
(3-fluorophenyl)carbamic acid;hydrochloride
CID 70589934

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-[(3-fluorophenyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-[(3-fluorophenyl)carbamoyl]amino]propanoic acid (CID 61030209) is 3-[tert-butyl-[(3-fluorophenyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-[(3-fluorophenyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-[(3-fluorophenyl)carbamoyl]amino]propanoic acid is CC(C)(C)N(CCC(=O)O)C(=O)Nc1cccc(F)c1.
What is the InChIKey of 3-[tert-butyl-[(3-fluorophenyl)carbamoyl]amino]propanoic acid?
The InChIKey is DWPIFXKIHHSRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-14(2,3)17(8-7-12(18)19)13(20)16-11-6-4-5-10(15)9-11/h4-6,9H,7-8H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 3-[tert-butyl-[(3-fluorophenyl)carbamoyl]amino]propanoic acid?
3-[tert-butyl-[(3-fluorophenyl)carbamoyl]amino]propanoic acid has a molecular weight of 282.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-[(3-fluorophenyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61030209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).