3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide

C8H16N4O3 — CID 76926545

IUPAC3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)NCCCC(N)=O)C(N)=NO
InChIInChI=1S/C8H16N4O3/c1-5(7(10)12-15)8(14)11-4-2-3-6(9)13/h5,15H,2-4H2,1H3,(H2,9,13)(H2,10,12)(H,11,14)
InChIKeyBPQINNFKSJHQPZ-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.25
Rot. Bonds6

About 3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide

3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide (PubChem CID 76926545) has the molecular formula C8H16N4O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide
PubChem CID76926545
Molecular FormulaC8H16N4O3
Molecular Weight216.24 g/mol
Exact Mass216.12
IUPAC Name3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)NCCCC(N)=O)C(N)=NO
InChIInChI=1S/C8H16N4O3/c1-5(7(10)12-15)8(14)11-4-2-3-6(9)13/h5,15H,2-4H2,1H3,(H2,9,13)(H2,10,12)(H,11,14)
InChIKeyBPQINNFKSJHQPZ-UHFFFAOYSA-N
XLogP-1.25
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(3-amino-3-hydroxyimino-2-methylpropanoyl)amino]pentanamide
CID 106240183
3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide
CID 76925594
N-(5-amino-5-oxopentyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 106240194
3-amino-3-hydroxyimino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 76980068
N-(4-amino-4-oxobutyl)-3-methyl-2-sulfanylbutanamide
CID 107023481
3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide
CID 114134867
4-[(2,2-difluoroacetyl)amino]butanamide
CID 103515414
3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide
CID 77029016
(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 55261278
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide
CID 76979808
3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2-methylpropanamide
CID 76925491
3-amino-3-hydroxyimino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpropanamide
CID 76924867

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide?
The IUPAC name of 3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide (CID 76926545) is 3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide is CC(C(=O)NCCCC(N)=O)C(N)=NO.
What is the InChIKey of 3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide?
The InChIKey is BPQINNFKSJHQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3/c1-5(7(10)12-15)8(14)11-4-2-3-6(9)13/h5,15H,2-4H2,1H3,(H2,9,13)(H2,10,12)(H,11,14).
What are the key properties of 3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide?
3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide has a molecular weight of 216.24 g/mol, XLogP of -1.25, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide is sourced from PubChem (CID 76926545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).