2-hydroxy-3-[3-(methylamino)-2-nitroanilino]propanamide

C10H14N4O4 — CID 106178862

IUPAC2-hydroxy-3-[3-(methylamino)-2-nitroanilino]propanamide
SMILESCNc1cccc(NCC(O)C(N)=O)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O4/c1-12-6-3-2-4-7(9(6)14(17)18)13-5-8(15)10(11)16/h2-4,8,12-13,15H,5H2,1H3,(H2,11,16)
InChIKeyYTVMNCYWDKYUDY-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.11
Rot. Bonds6

About 2-hydroxy-3-[3-(methylamino)-2-nitroanilino]propanamide

2-hydroxy-3-[3-(methylamino)-2-nitroanilino]propanamide (PubChem CID 106178862) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-hydroxy-3-[3-(methylamino)-2-nitroanilino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[3-(methylamino)-2-nitroanilino]propanamide
PubChem CID106178862
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2-hydroxy-3-[3-(methylamino)-2-nitroanilino]propanamide
SMILESCNc1cccc(NCC(O)C(N)=O)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O4/c1-12-6-3-2-4-7(9(6)14(17)18)13-5-8(15)10(11)16/h2-4,8,12-13,15H,5H2,1H3,(H2,11,16)
InChIKeyYTVMNCYWDKYUDY-UHFFFAOYSA-N
XLogP-0.11
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 ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-nitrobenzoic acid
CID 114154296
5-[3-(methylamino)-2-nitroanilino]pentan-2-ol
CID 106138125
2-[3-(methylamino)-2-nitroanilino]propane-1,3-diol
CID 80842073
5-[3-(methylamino)-2-nitroanilino]pentan-1-ol
CID 107324203
N,N-dimethyl-2-[3-(methylamino)-2-nitroanilino]acetamide
CID 80783693
1-N-methyl-3-N-(3-methylbutyl)-2-nitrobenzene-1,3-diamine
CID 80785885
3-amino-4-(3-fluoro-2-nitroanilino)butan-2-ol
CID 64541514
3-N-benzyl-1-N-methyl-2-nitrobenzene-1,3-diamine
CID 80784770
2-[3-(methylamino)-2-nitroanilino]ethanesulfonamide
CID 80788563
3-methyl-2-[3-(methylamino)-2-nitroanilino]butan-1-ol
CID 80848426
3-N-(cyclopropylmethyl)-1-N-methyl-2-nitrobenzene-1,3-diamine
CID 80770395
1,1-difluoro-3-(3-methyl-2-nitroanilino)propan-2-ol
CID 114093804

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[3-(methylamino)-2-nitroanilino]propanamide?
The IUPAC name of 2-hydroxy-3-[3-(methylamino)-2-nitroanilino]propanamide (CID 106178862) is 2-hydroxy-3-[3-(methylamino)-2-nitroanilino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[3-(methylamino)-2-nitroanilino]propanamide?
The canonical SMILES for 2-hydroxy-3-[3-(methylamino)-2-nitroanilino]propanamide is CNc1cccc(NCC(O)C(N)=O)c1[N+](=O)[O-].
What is the InChIKey of 2-hydroxy-3-[3-(methylamino)-2-nitroanilino]propanamide?
The InChIKey is YTVMNCYWDKYUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-12-6-3-2-4-7(9(6)14(17)18)13-5-8(15)10(11)16/h2-4,8,12-13,15H,5H2,1H3,(H2,11,16).
What are the key properties of 2-hydroxy-3-[3-(methylamino)-2-nitroanilino]propanamide?
2-hydroxy-3-[3-(methylamino)-2-nitroanilino]propanamide has a molecular weight of 254.25 g/mol, XLogP of -0.11, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[3-(methylamino)-2-nitroanilino]propanamide is sourced from PubChem (CID 106178862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).