(2R)-2-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]propanamide

C13H17N3O3 — CID 99704867

IUPAC(2R)-2-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]propanamide
SMILESC[C@@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1
InChIInChI=1S/C13H17N3O3/c1-9(14)13(17)15(11-6-7-11)8-10-2-4-12(5-3-10)16(18)19/h2-5,9,11H,6-8,14H2,1H3/t9-/m1/s1
InChIKeyOSTWPHZYQKBOAG-SECBINFHSA-N
MW263.30 g/mol
LogP1.43
Rot. Bonds5

About (2R)-2-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]propanamide

(2R)-2-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]propanamide (PubChem CID 99704867) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is (2R)-2-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]propanamide
PubChem CID99704867
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name(2R)-2-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]propanamide
SMILESC[C@@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1
InChIInChI=1S/C13H17N3O3/c1-9(14)13(17)15(11-6-7-11)8-10-2-4-12(5-3-10)16(18)19/h2-5,9,11H,6-8,14H2,1H3/t9-/m1/s1
InChIKeyOSTWPHZYQKBOAG-SECBINFHSA-N
XLogP1.43
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
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

3-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-2-methyl-3-oxopropanoic acid
CID 122065850
(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
CID 66568238
(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 119273120
4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride
CID 119291590
(2S)-2-amino-N-ethyl-N-[(4-nitrophenyl)methyl]propanamide
CID 66568438
5-[cyclopropyl-[(4-nitrophenyl)methyl]carbamoyl]furan-2-carboxylic acid
CID 120690672
2-[cyclopropyl-[(4-nitrophenyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120977540
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
(2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride
CID 119042549
2-amino-N-[(6-chloro-3-pyridinyl)methyl]-N-cyclopropylpropanamide
CID 77144541
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide
CID 9298236
(2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide
CID 61165448

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]propanamide (CID 99704867) is (2R)-2-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]propanamide is C[C@@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1.
What is the InChIKey of (2R)-2-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]propanamide?
The InChIKey is OSTWPHZYQKBOAG-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9(14)13(17)15(11-6-7-11)8-10-2-4-12(5-3-10)16(18)19/h2-5,9,11H,6-8,14H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]propanamide?
(2R)-2-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]propanamide has a molecular weight of 263.30 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]propanamide is sourced from PubChem (CID 99704867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).