(2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide

C10H13N3O3 — CID 78979257

IUPAC(2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-7(11)10(14)12-6-8-4-2-3-5-9(8)13(15)16/h2-5,7H,6,11H2,1H3,(H,12,14)/t7-/m1/s1
InChIKeyJHHLEHQSFWPLIK-SSDOTTSWSA-N
MW223.23 g/mol
LogP0.56
Rot. Bonds4

About (2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide

(2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide (PubChem CID 78979257) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide
PubChem CID78979257
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name(2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-7(11)10(14)12-6-8-4-2-3-5-9(8)13(15)16/h2-5,7H,6,11H2,1H3,(H,12,14)/t7-/m1/s1
InChIKeyJHHLEHQSFWPLIK-SSDOTTSWSA-N
XLogP0.56
TPSA98.26 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 ≤ 50.56
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-[2-(2-nitrophenyl)ethyl]propanamide;hydrochloride
CID 119334599
2-(aminomethyl)-3-methyl-N-[(2-nitrophenyl)methyl]butanamide
CID 65227998
2-methyl-3-[(2-nitrophenyl)methylcarbamoylamino]propanoic acid
CID 62671354
(2-nitrophenyl)methylcarbamic acid
CID 18621803
N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide
CID 47413238
2-bromo-2-methyl-N-[(2-nitrophenyl)methyl]propanamide
CID 114328572
2-[2-[(2-aminopropanoylamino)methyl]phenyl]acetic acid
CID 81318490
N-carbamoyl-2-[(2-nitrophenyl)methylamino]propanamide
CID 61068799
(2R)-1-[(2-nitrophenyl)methylamino]propan-2-ol
CID 93033289
2-(2-hydroxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide
CID 24873981
N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide
CID 83030865
2-amino-N-[(2-iodophenyl)methyl]propanamide
CID 77144463

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide (CID 78979257) is (2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide is C[C@@H](N)C(=O)NCc1ccccc1[N+](=O)[O-].
What is the InChIKey of (2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide?
The InChIKey is JHHLEHQSFWPLIK-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-7(11)10(14)12-6-8-4-2-3-5-9(8)13(15)16/h2-5,7H,6,11H2,1H3,(H,12,14)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide?
(2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide has a molecular weight of 223.23 g/mol, XLogP of 0.56, 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-[(2-nitrophenyl)methyl]propanamide is sourced from PubChem (CID 78979257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).