(2S)-3-amino-N-hydroxy-2-[(2-nitrophenyl)methylamino]propanamide

C10H14N4O4 — CID 87749363

IUPAC(2S)-3-amino-N-hydroxy-2-[(2-nitrophenyl)methylamino]propanamide
SMILESNC[C@H](NCc1ccccc1[N+](=O)[O-])C(=O)NO
InChIInChI=1S/C10H14N4O4/c11-5-8(10(15)13-16)12-6-7-3-1-2-4-9(7)14(17)18/h1-4,8,12,16H,5-6,11H2,(H,13,15)/t8-/m0/s1
InChIKeyJZALCUUTCHKTIG-QMMMGPOBSA-N
MW254.25 g/mol
LogP-0.48
Rot. Bonds6

About (2S)-3-amino-N-hydroxy-2-[(2-nitrophenyl)methylamino]propanamide

(2S)-3-amino-N-hydroxy-2-[(2-nitrophenyl)methylamino]propanamide (PubChem CID 87749363) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is (2S)-3-amino-N-hydroxy-2-[(2-nitrophenyl)methylamino]propanamide.

Molecular Properties

Compound Name(2S)-3-amino-N-hydroxy-2-[(2-nitrophenyl)methylamino]propanamide
PubChem CID87749363
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name(2S)-3-amino-N-hydroxy-2-[(2-nitrophenyl)methylamino]propanamide
SMILESNC[C@H](NCc1ccccc1[N+](=O)[O-])C(=O)NO
InChIInChI=1S/C10H14N4O4/c11-5-8(10(15)13-16)12-6-7-3-1-2-4-9(7)14(17)18/h1-4,8,12,16H,5-6,11H2,(H,13,15)/t8-/m0/s1
InChIKeyJZALCUUTCHKTIG-QMMMGPOBSA-N
XLogP-0.48
TPSA130.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[(2-nitrophenyl)methylamino]butanoate
CID 142068924
N-carbamoyl-2-[(2-nitrophenyl)methylamino]propanamide
CID 61068799
2-(aminomethyl)-3-methyl-N-[(2-nitrophenyl)methyl]butanamide
CID 65227998
N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine;trihydrochloride
CID 175115663
N-[(2-nitrophenyl)methyl]-1,1-diphenylmethanamine
CID 30789921
N-[(2-nitrophenyl)methyl]pentan-3-amine
CID 28566580
(2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide
CID 78979257
4-methyl-3-[(2-nitrophenyl)methylamino]pentanoic acid
CID 3271868
(2-nitrophenyl)methylcarbamic acid
CID 18621803
N-(1-aminopentan-2-yl)-2-(2-nitrophenyl)acetamide
CID 65191595
methyl 3-methyl-2-[(2-nitrophenyl)methylamino]pentanoate
CID 43230991
N-(1-amino-3-methylbutan-2-yl)-2-(2-nitrophenyl)acetamide
CID 65192594

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-N-hydroxy-2-[(2-nitrophenyl)methylamino]propanamide?
The IUPAC name of (2S)-3-amino-N-hydroxy-2-[(2-nitrophenyl)methylamino]propanamide (CID 87749363) is (2S)-3-amino-N-hydroxy-2-[(2-nitrophenyl)methylamino]propanamide.
What is the SMILES notation for (2S)-3-amino-N-hydroxy-2-[(2-nitrophenyl)methylamino]propanamide?
The canonical SMILES for (2S)-3-amino-N-hydroxy-2-[(2-nitrophenyl)methylamino]propanamide is NC[C@H](NCc1ccccc1[N+](=O)[O-])C(=O)NO.
What is the InChIKey of (2S)-3-amino-N-hydroxy-2-[(2-nitrophenyl)methylamino]propanamide?
The InChIKey is JZALCUUTCHKTIG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N4O4/c11-5-8(10(15)13-16)12-6-7-3-1-2-4-9(7)14(17)18/h1-4,8,12,16H,5-6,11H2,(H,13,15)/t8-/m0/s1.
What are the key properties of (2S)-3-amino-N-hydroxy-2-[(2-nitrophenyl)methylamino]propanamide?
(2S)-3-amino-N-hydroxy-2-[(2-nitrophenyl)methylamino]propanamide has a molecular weight of 254.25 g/mol, XLogP of -0.48, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-N-hydroxy-2-[(2-nitrophenyl)methylamino]propanamide is sourced from PubChem (CID 87749363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).