(2R)-2-[(2-fluoro-5-nitrophenyl)carbamoylamino]-3-hydroxypropanoic acid

C10H10FN3O6 — CID 80757769

IUPAC(2R)-2-[(2-fluoro-5-nitrophenyl)carbamoylamino]-3-hydroxypropanoic acid
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)N[C@H](CO)C(=O)O
InChIInChI=1S/C10H10FN3O6/c11-6-2-1-5(14(19)20)3-7(6)12-10(18)13-8(4-15)9(16)17/h1-3,8,15H,4H2,(H,16,17)(H2,12,13,18)/t8-/m1/s1
InChIKeyXJDHZIIOWQTGHX-MRVPVSSYSA-N
MW287.20 g/mol
LogP0.30
Rot. Bonds5

About (2R)-2-[(2-fluoro-5-nitrophenyl)carbamoylamino]-3-hydroxypropanoic acid

(2R)-2-[(2-fluoro-5-nitrophenyl)carbamoylamino]-3-hydroxypropanoic acid (PubChem CID 80757769) has the molecular formula C10H10FN3O6 and a molecular weight of 287.20 g/mol. Its IUPAC name is (2R)-2-[(2-fluoro-5-nitrophenyl)carbamoylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-fluoro-5-nitrophenyl)carbamoylamino]-3-hydroxypropanoic acid
PubChem CID80757769
Molecular FormulaC10H10FN3O6
Molecular Weight287.20 g/mol
Exact Mass287.06
IUPAC Name(2R)-2-[(2-fluoro-5-nitrophenyl)carbamoylamino]-3-hydroxypropanoic acid
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)N[C@H](CO)C(=O)O
InChIInChI=1S/C10H10FN3O6/c11-6-2-1-5(14(19)20)3-7(6)12-10(18)13-8(4-15)9(16)17/h1-3,8,15H,4H2,(H,16,17)(H2,12,13,18)/t8-/m1/s1
InChIKeyXJDHZIIOWQTGHX-MRVPVSSYSA-N
XLogP0.30
TPSA141.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-2-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanoic acid
CID 61195522
(2S)-2-[(2,5-difluorophenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61182472
3-[(2-fluoro-5-nitrophenyl)carbamoylamino]butanoic acid
CID 61197131
(2S)-N-(2-fluoro-5-nitrophenyl)-2-methylbutanamide
CID 7270057
2-[(3-fluoro-5-nitrophenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 107335451
3-chloro-N-(2-fluoro-5-nitrophenyl)-2-methylpropanamide
CID 55110565
N-(2-fluoro-5-nitrophenyl)-2-methylpentanamide
CID 2905787
(2R)-2-[(2-fluoro-4-nitrophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751484
(2S)-2-[(2-chloro-5-nitrophenyl)carbamoylamino]pentanoic acid
CID 107566662
2-[(2-chloro-5-nitrophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81086250
2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 102854365
2-amino-N-(2-fluoro-5-nitrophenyl)butanamide
CID 60779876

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-fluoro-5-nitrophenyl)carbamoylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(2-fluoro-5-nitrophenyl)carbamoylamino]-3-hydroxypropanoic acid (CID 80757769) is (2R)-2-[(2-fluoro-5-nitrophenyl)carbamoylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(2-fluoro-5-nitrophenyl)carbamoylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(2-fluoro-5-nitrophenyl)carbamoylamino]-3-hydroxypropanoic acid is O=C(Nc1cc([N+](=O)[O-])ccc1F)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[(2-fluoro-5-nitrophenyl)carbamoylamino]-3-hydroxypropanoic acid?
The InChIKey is XJDHZIIOWQTGHX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10FN3O6/c11-6-2-1-5(14(19)20)3-7(6)12-10(18)13-8(4-15)9(16)17/h1-3,8,15H,4H2,(H,16,17)(H2,12,13,18)/t8-/m1/s1.
What are the key properties of (2R)-2-[(2-fluoro-5-nitrophenyl)carbamoylamino]-3-hydroxypropanoic acid?
(2R)-2-[(2-fluoro-5-nitrophenyl)carbamoylamino]-3-hydroxypropanoic acid has a molecular weight of 287.20 g/mol, XLogP of 0.30, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-fluoro-5-nitrophenyl)carbamoylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80757769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).