(2R)-2-[(3-fluorophenyl)carbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid

C13H13FN4O3 — CID 104894385

IUPAC(2R)-2-[(3-fluorophenyl)carbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid
SMILESO=C(Nc1cccc(F)c1)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C13H13FN4O3/c14-8-2-1-3-9(4-8)17-13(21)18-11(12(19)20)5-10-6-15-7-16-10/h1-4,6-7,11H,5H2,(H,15,16)(H,19,20)(H2,17,18,21)/t11-/m1/s1
InChIKeyUOAVZONGMJYZMM-LLVKDONJSA-N
MW292.27 g/mol
LogP1.37
Rot. Bonds5

About (2R)-2-[(3-fluorophenyl)carbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid

(2R)-2-[(3-fluorophenyl)carbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid (PubChem CID 104894385) has the molecular formula C13H13FN4O3 and a molecular weight of 292.27 g/mol. Its IUPAC name is (2R)-2-[(3-fluorophenyl)carbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-fluorophenyl)carbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid
PubChem CID104894385
Molecular FormulaC13H13FN4O3
Molecular Weight292.27 g/mol
Exact Mass292.10
IUPAC Name(2R)-2-[(3-fluorophenyl)carbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid
SMILESO=C(Nc1cccc(F)c1)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C13H13FN4O3/c14-8-2-1-3-9(4-8)17-13(21)18-11(12(19)20)5-10-6-15-7-16-10/h1-4,6-7,11H,5H2,(H,15,16)(H,19,20)(H2,17,18,21)/t11-/m1/s1
InChIKeyUOAVZONGMJYZMM-LLVKDONJSA-N
XLogP1.37
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-fluorophenyl)carbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid
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1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231550
(2S)-2-[(2-bromophenyl)carbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid
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(2S)-2-[(5-fluoro-2-methylbenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 63049630
(2S)-2-(ethylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoic acid
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(2R)-2-(benzylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 11055328
2-[(3-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81077248
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(2R)-3-(1H-imidazol-5-yl)-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid
CID 104894957
(2S)-2-[(2-chloroacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 156779892
(2S)-2-(carbonochloridoylamino)-3-(1H-imidazol-5-yl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-fluorophenyl)carbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid?
The IUPAC name of (2R)-2-[(3-fluorophenyl)carbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid (CID 104894385) is (2R)-2-[(3-fluorophenyl)carbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for (2R)-2-[(3-fluorophenyl)carbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for (2R)-2-[(3-fluorophenyl)carbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid is O=C(Nc1cccc(F)c1)N[C@H](Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of (2R)-2-[(3-fluorophenyl)carbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid?
The InChIKey is UOAVZONGMJYZMM-LLVKDONJSA-N. The full InChI is InChI=1S/C13H13FN4O3/c14-8-2-1-3-9(4-8)17-13(21)18-11(12(19)20)5-10-6-15-7-16-10/h1-4,6-7,11H,5H2,(H,15,16)(H,19,20)(H2,17,18,21)/t11-/m1/s1.
What are the key properties of (2R)-2-[(3-fluorophenyl)carbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid?
(2R)-2-[(3-fluorophenyl)carbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid has a molecular weight of 292.27 g/mol, XLogP of 1.37, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-fluorophenyl)carbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 104894385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).