(3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid

C10H11FN2O3 — CID 135070527

IUPAC(3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid
SMILESNC(=O)N[C@H](CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C10H11FN2O3/c11-7-3-1-6(2-4-7)8(5-9(14)15)13-10(12)16/h1-4,8H,5H2,(H,14,15)(H3,12,13,16)/t8-/m1/s1
InChIKeyAFMNJCGLFBZOHR-MRVPVSSYSA-N
MW226.21 g/mol
LogP1.01
Rot. Bonds4

About (3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid

(3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid (PubChem CID 135070527) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is (3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid
PubChem CID135070527
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name(3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid
SMILESNC(=O)N[C@H](CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C10H11FN2O3/c11-7-3-1-6(2-4-7)8(5-9(14)15)13-10(12)16/h1-4,8H,5H2,(H,14,15)(H3,12,13,16)/t8-/m1/s1
InChIKeyAFMNJCGLFBZOHR-MRVPVSSYSA-N
XLogP1.01
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid
CID 2424184
3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 4558174
(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid
CID 717556
3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2734583
3-(benzylamino)-3-(4-fluorophenyl)propanoic acid
CID 23067143
3-[(2-chlorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 3806957
3-(cyclooctanecarbonylamino)-3-(4-fluorophenyl)propanoic acid
CID 120513053
3-(2,3-dimethylpentanoylamino)-3-(4-fluorophenyl)propanoic acid
CID 120513080
3-(4-fluorophenyl)-3-(3-methylhexanoylamino)propanoic acid
CID 119169664
3-[(2-cyclopentylacetyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 45431634
(3S)-3-(4-fluorophenyl)-3-(furan-2-carbonylamino)propanoic acid
CID 783067
(3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 89304540

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid?
The IUPAC name of (3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid (CID 135070527) is (3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for (3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid?
The canonical SMILES for (3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid is NC(=O)N[C@H](CC(=O)O)c1ccc(F)cc1.
What is the InChIKey of (3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid?
The InChIKey is AFMNJCGLFBZOHR-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c11-7-3-1-6(2-4-7)8(5-9(14)15)13-10(12)16/h1-4,8H,5H2,(H,14,15)(H3,12,13,16)/t8-/m1/s1.
What are the key properties of (3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid?
(3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid has a molecular weight of 226.21 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 135070527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).