(2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid

C10H11FN2O3 — CID 20848024

IUPAC(2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid
SMILESC[C@@H](NC(=O)Nc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C10H11FN2O3/c1-6(9(14)15)12-10(16)13-8-4-2-7(11)3-5-8/h2-6H,1H3,(H,14,15)(H2,12,13,16)/t6-/m1/s1
InChIKeyVSEDIWREIKXZED-ZCFIWIBFSA-N
MW226.21 g/mol
LogP1.42
Rot. Bonds3

About (2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid

(2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid (PubChem CID 20848024) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is (2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid
PubChem CID20848024
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name(2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid
SMILESC[C@@H](NC(=O)Nc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C10H11FN2O3/c1-6(9(14)15)12-10(16)13-8-4-2-7(11)3-5-8/h2-6H,1H3,(H,14,15)(H2,12,13,16)/t6-/m1/s1
InChIKeyVSEDIWREIKXZED-ZCFIWIBFSA-N
XLogP1.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
2-[(4-phenylphenyl)carbamoylamino]propanoic acid
CID 62254578
(2S)-2-[[4-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 78967872
2-[(4-ethylphenyl)carbamoylamino]propanoic acid
CID 4026936
(2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 51428415
2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid
CID 43288482
(2R)-2-[(3,4-dimethylphenyl)carbamoylamino]propanoic acid
CID 54991355
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
(2S)-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid
CID 945760
1-(4-fluorophenyl)-3-(4-hydroxypentan-2-yl)urea
CID 113376612
N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 17462903
(2S)-2-[(2-bromo-4-fluorophenyl)carbamoylamino]propanoic acid
CID 78967831

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid?
The IUPAC name of (2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid (CID 20848024) is (2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid is C[C@@H](NC(=O)Nc1ccc(F)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid?
The InChIKey is VSEDIWREIKXZED-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11FN2O3/c1-6(9(14)15)12-10(16)13-8-4-2-7(11)3-5-8/h2-6H,1H3,(H,14,15)(H2,12,13,16)/t6-/m1/s1.
What are the key properties of (2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid?
(2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid has a molecular weight of 226.21 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 20848024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).