(2S)-2-amino-N-(2-fluoro-4-nitrophenyl)butanamide

C10H12FN3O3 — CID 79023514

IUPAC(2S)-2-amino-N-(2-fluoro-4-nitrophenyl)butanamide
SMILESCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H12FN3O3/c1-2-8(12)10(15)13-9-4-3-6(14(16)17)5-7(9)11/h3-5,8H,2,12H2,1H3,(H,13,15)/t8-/m0/s1
InChIKeyPSIXCTGMQFEHQG-QMMMGPOBSA-N
MW241.22 g/mol
LogP1.41
Rot. Bonds4

About (2S)-2-amino-N-(2-fluoro-4-nitrophenyl)butanamide

(2S)-2-amino-N-(2-fluoro-4-nitrophenyl)butanamide (PubChem CID 79023514) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-fluoro-4-nitrophenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-fluoro-4-nitrophenyl)butanamide
PubChem CID79023514
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Name(2S)-2-amino-N-(2-fluoro-4-nitrophenyl)butanamide
SMILESCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H12FN3O3/c1-2-8(12)10(15)13-9-4-3-6(14(16)17)5-7(9)11/h3-5,8H,2,12H2,1H3,(H,13,15)/t8-/m0/s1
InChIKeyPSIXCTGMQFEHQG-QMMMGPOBSA-N
XLogP1.41
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-amino-N-(2-fluoro-5-nitrophenyl)butanamide
CID 60779876
(2S)-2-amino-N-(2-hydroxy-4-nitrophenyl)butanamide
CID 107744397
2-amino-N-(2,4-difluorophenyl)butanamide
CID 43649437
3-(ethylamino)-N-(2-fluoro-4-nitrophenyl)-2-methylpropanamide
CID 62837323
4-[[(2S)-2-aminobutanoyl]amino]-3-fluorobenzoic acid
CID 79023474
(2S)-N-(2-fluoro-5-nitrophenyl)-2-methylbutanamide
CID 7270057
2-(aminomethyl)-N-(2-fluoro-5-nitrophenyl)butanamide
CID 65225442
4-amino-5-(2-fluoro-5-nitroanilino)-5-oxopentanoic acid
CID 64896003
(2S)-2-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide
CID 61178947
(2S)-2-amino-N-(2-cyano-4-nitrophenyl)hexanamide
CID 107144173
4-amino-N-(2-fluoro-4-nitrophenyl)-3-methoxybutanamide
CID 103155684
2-amino-N-(2-hydroxy-4-nitrophenyl)-4-methylsulfonylbutanamide
CID 107744189

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-fluoro-4-nitrophenyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(2-fluoro-4-nitrophenyl)butanamide (CID 79023514) is (2S)-2-amino-N-(2-fluoro-4-nitrophenyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-fluoro-4-nitrophenyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(2-fluoro-4-nitrophenyl)butanamide is CC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of (2S)-2-amino-N-(2-fluoro-4-nitrophenyl)butanamide?
The InChIKey is PSIXCTGMQFEHQG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12FN3O3/c1-2-8(12)10(15)13-9-4-3-6(14(16)17)5-7(9)11/h3-5,8H,2,12H2,1H3,(H,13,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-fluoro-4-nitrophenyl)butanamide?
(2S)-2-amino-N-(2-fluoro-4-nitrophenyl)butanamide has a molecular weight of 241.22 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-fluoro-4-nitrophenyl)butanamide is sourced from PubChem (CID 79023514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).