(2S)-2-amino-N-[2-(2-nitrophenyl)ethyl]propanamide;hydrochloride

C11H16ClN3O3 — CID 119334599

IUPAC(2S)-2-amino-N-[2-(2-nitrophenyl)ethyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-].Cl
InChIInChI=1S/C11H15N3O3.ClH/c1-8(12)11(15)13-7-6-9-4-2-3-5-10(9)14(16)17;/h2-5,8H,6-7,12H2,1H3,(H,13,15);1H/t8-;/m0./s1
InChIKeyCPALKLGMOCPLHA-QRPNPIFTSA-N
MW273.72 g/mol
LogP1.02
Rot. Bonds5

About (2S)-2-amino-N-[2-(2-nitrophenyl)ethyl]propanamide;hydrochloride

(2S)-2-amino-N-[2-(2-nitrophenyl)ethyl]propanamide;hydrochloride (PubChem CID 119334599) has the molecular formula C11H16ClN3O3 and a molecular weight of 273.72 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-nitrophenyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-nitrophenyl)ethyl]propanamide;hydrochloride
PubChem CID119334599
Molecular FormulaC11H16ClN3O3
Molecular Weight273.72 g/mol
Exact Mass273.09
IUPAC Name(2S)-2-amino-N-[2-(2-nitrophenyl)ethyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-].Cl
InChIInChI=1S/C11H15N3O3.ClH/c1-8(12)11(15)13-7-6-9-4-2-3-5-10(9)14(16)17;/h2-5,8H,6-7,12H2,1H3,(H,13,15);1H/t8-;/m0./s1
InChIKeyCPALKLGMOCPLHA-QRPNPIFTSA-N
XLogP1.02
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 51.02
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

(2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide
CID 78979257
3-amino-2-methyl-N-[2-(2-nitrophenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119802876
N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
CID 119093580
(2R)-2-amino-N-[2-(2-hydroxyphenyl)ethyl]propanamide
CID 120872754
(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684847
4-amino-3-methoxy-N-[2-(2-nitrophenyl)ethyl]butanamide
CID 120593305
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
(2S)-4-(2-nitrophenyl)butan-2-amine
CID 93264337
2-[2-(2-nitrophenyl)ethylamino]-N-propan-2-ylacetamide
CID 63062439
2-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]benzoic acid
CID 78966496
3-methyl-N-[2-(2-nitrophenyl)ethyl]butan-2-amine
CID 63062789
methyl (2S)-2-amino-3-(2-nitrophenyl)propanoate;hydrochloride
CID 67675952

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-nitrophenyl)ethyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(2-nitrophenyl)ethyl]propanamide;hydrochloride (CID 119334599) is (2S)-2-amino-N-[2-(2-nitrophenyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-nitrophenyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(2-nitrophenyl)ethyl]propanamide;hydrochloride is C[C@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-].Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(2-nitrophenyl)ethyl]propanamide;hydrochloride?
The InChIKey is CPALKLGMOCPLHA-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H15N3O3.ClH/c1-8(12)11(15)13-7-6-9-4-2-3-5-10(9)14(16)17;/h2-5,8H,6-7,12H2,1H3,(H,13,15);1H/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(2-nitrophenyl)ethyl]propanamide;hydrochloride?
(2S)-2-amino-N-[2-(2-nitrophenyl)ethyl]propanamide;hydrochloride has a molecular weight of 273.72 g/mol, XLogP of 1.02, 5 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-(2-nitrophenyl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119334599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).