2-amino-3-(2-methyl-3-nitrophenyl)propanamide

C10H13N3O3 — CID 64990652

IUPAC2-amino-3-(2-methyl-3-nitrophenyl)propanamide
SMILESCc1c(CC(N)C(N)=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-6-7(5-8(11)10(12)14)3-2-4-9(6)13(15)16/h2-4,8H,5,11H2,1H3,(H2,12,14)
InChIKeyCMWSYWASZBNPME-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.26
Rot. Bonds4

About 2-amino-3-(2-methyl-3-nitrophenyl)propanamide

2-amino-3-(2-methyl-3-nitrophenyl)propanamide (PubChem CID 64990652) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-amino-3-(2-methyl-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(2-methyl-3-nitrophenyl)propanamide
PubChem CID64990652
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-amino-3-(2-methyl-3-nitrophenyl)propanamide
SMILESCc1c(CC(N)C(N)=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-6-7(5-8(11)10(12)14)3-2-4-9(6)13(15)16/h2-4,8H,5,11H2,1H3,(H2,12,14)
InChIKeyCMWSYWASZBNPME-UHFFFAOYSA-N
XLogP0.26
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.26
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-3-(2-nitrophenyl)propanamide
CID 64990482
2-amino-N-[(2-methyl-3-nitrophenyl)methyl]butanediamide
CID 103109428
4-methyl-3-[(2-methyl-3-nitrophenyl)methyl]pentan-2-one
CID 62915683
2-amino-3-(2,4-dinitrophenyl)propanamide
CID 66222854
methyl (2S)-2-amino-3-(2-nitrophenyl)propanoate;hydrochloride
CID 67675952
2-[(2-methyl-3-nitrophenyl)methyl]pentanoic acid
CID 61129697
4-methyl-2-[(2-methyl-3-nitrophenyl)methyl]pentanoic acid
CID 61128565
methyl 2-(2-methyl-3-nitrophenyl)acetate
CID 74891097
(2R)-2-amino-3-(2-fluoro-3-nitrophenyl)propanoic acid
CID 103852447
1-(3-chloro-2-methylpentyl)-2-methyl-3-nitrobenzene
CID 63559935
2-amino-4-methoxy-N-[(2-methyl-3-nitrophenyl)methyl]butanamide
CID 103109301
N-[(2-methyl-3-nitrophenyl)methyl]acetamide
CID 103113652

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methyl-3-nitrophenyl)propanamide?
The IUPAC name of 2-amino-3-(2-methyl-3-nitrophenyl)propanamide (CID 64990652) is 2-amino-3-(2-methyl-3-nitrophenyl)propanamide.
What is the SMILES notation for 2-amino-3-(2-methyl-3-nitrophenyl)propanamide?
The canonical SMILES for 2-amino-3-(2-methyl-3-nitrophenyl)propanamide is Cc1c(CC(N)C(N)=O)cccc1[N+](=O)[O-].
What is the InChIKey of 2-amino-3-(2-methyl-3-nitrophenyl)propanamide?
The InChIKey is CMWSYWASZBNPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-7(5-8(11)10(12)14)3-2-4-9(6)13(15)16/h2-4,8H,5,11H2,1H3,(H2,12,14).
What are the key properties of 2-amino-3-(2-methyl-3-nitrophenyl)propanamide?
2-amino-3-(2-methyl-3-nitrophenyl)propanamide has a molecular weight of 223.23 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methyl-3-nitrophenyl)propanamide is sourced from PubChem (CID 64990652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).