(2R)-2-amino-N-[1-(3-nitrophenyl)ethyl]propanamide;hydrochloride

C11H16ClN3O3 — CID 119287279

IUPAC(2R)-2-amino-N-[1-(3-nitrophenyl)ethyl]propanamide;hydrochloride
SMILESCC(NC(=O)[C@@H](C)N)c1cccc([N+](=O)[O-])c1.Cl
InChIInChI=1S/C11H15N3O3.ClH/c1-7(12)11(15)13-8(2)9-4-3-5-10(6-9)14(16)17;/h3-8H,12H2,1-2H3,(H,13,15);1H/t7-,8?;/m1./s1
InChIKeyRDCSPMMKDOTOPP-PGMKYVDRSA-N
MW273.72 g/mol
LogP1.54
Rot. Bonds4

About (2R)-2-amino-N-[1-(3-nitrophenyl)ethyl]propanamide;hydrochloride

(2R)-2-amino-N-[1-(3-nitrophenyl)ethyl]propanamide;hydrochloride (PubChem CID 119287279) has the molecular formula C11H16ClN3O3 and a molecular weight of 273.72 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(3-nitrophenyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(3-nitrophenyl)ethyl]propanamide;hydrochloride
PubChem CID119287279
Molecular FormulaC11H16ClN3O3
Molecular Weight273.72 g/mol
Exact Mass273.09
IUPAC Name(2R)-2-amino-N-[1-(3-nitrophenyl)ethyl]propanamide;hydrochloride
SMILESCC(NC(=O)[C@@H](C)N)c1cccc([N+](=O)[O-])c1.Cl
InChIInChI=1S/C11H15N3O3.ClH/c1-7(12)11(15)13-8(2)9-4-3-5-10(6-9)14(16)17;/h3-8H,12H2,1-2H3,(H,13,15);1H/t7-,8?;/m1./s1
InChIKeyRDCSPMMKDOTOPP-PGMKYVDRSA-N
XLogP1.54
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 51.54
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

(2S)-2-amino-N-[1-(3-nitrophenyl)ethyl]butanamide;hydrochloride
CID 119287283
3-amino-4-[1-(3-nitrophenyl)ethylamino]-4-oxobutanoic acid
CID 64895714
3-amino-2-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 55104277
2-amino-3-methyl-N-[1-(3-nitrophenyl)ethyl]pentanamide
CID 60927746
2-amino-N-[1-(3-nitrophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 115286471
3-amino-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 54862606
N-[1-(3-nitrophenyl)ethyl]-3-oxobutanamide
CID 54867131
1-amino-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide
CID 65465737
1-(3-nitrophenyl)ethanamine;hydrochloride
CID 23105088
2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride
CID 119285491
(2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81361090
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(3-nitrophenyl)ethyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[1-(3-nitrophenyl)ethyl]propanamide;hydrochloride (CID 119287279) is (2R)-2-amino-N-[1-(3-nitrophenyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[1-(3-nitrophenyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[1-(3-nitrophenyl)ethyl]propanamide;hydrochloride is CC(NC(=O)[C@@H](C)N)c1cccc([N+](=O)[O-])c1.Cl.
What is the InChIKey of (2R)-2-amino-N-[1-(3-nitrophenyl)ethyl]propanamide;hydrochloride?
The InChIKey is RDCSPMMKDOTOPP-PGMKYVDRSA-N. The full InChI is InChI=1S/C11H15N3O3.ClH/c1-7(12)11(15)13-8(2)9-4-3-5-10(6-9)14(16)17;/h3-8H,12H2,1-2H3,(H,13,15);1H/t7-,8?;/m1./s1.
What are the key properties of (2R)-2-amino-N-[1-(3-nitrophenyl)ethyl]propanamide;hydrochloride?
(2R)-2-amino-N-[1-(3-nitrophenyl)ethyl]propanamide;hydrochloride has a molecular weight of 273.72 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(3-nitrophenyl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119287279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).