3-[(3-amino-3-hydroxyiminopropanoyl)amino]butanamide

C7H14N4O3 — CID 104870493

IUPAC3-[(3-amino-3-hydroxyiminopropanoyl)amino]butanamide
SMILESCC(CC(N)=O)NC(=O)CC(N)=NO
InChIInChI=1S/C7H14N4O3/c1-4(2-6(9)12)10-7(13)3-5(8)11-14/h4,14H,2-3H2,1H3,(H2,8,11)(H2,9,12)(H,10,13)
InChIKeyPCVNEHFCSXYVGH-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.50
Rot. Bonds5

About 3-[(3-amino-3-hydroxyiminopropanoyl)amino]butanamide

3-[(3-amino-3-hydroxyiminopropanoyl)amino]butanamide (PubChem CID 104870493) has the molecular formula C7H14N4O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-[(3-amino-3-hydroxyiminopropanoyl)amino]butanamide.

Molecular Properties

Compound Name3-[(3-amino-3-hydroxyiminopropanoyl)amino]butanamide
PubChem CID104870493
Molecular FormulaC7H14N4O3
Molecular Weight202.21 g/mol
Exact Mass202.11
IUPAC Name3-[(3-amino-3-hydroxyiminopropanoyl)amino]butanamide
SMILESCC(CC(N)=O)NC(=O)CC(N)=NO
InChIInChI=1S/C7H14N4O3/c1-4(2-6(9)12)10-7(13)3-5(8)11-14/h4,14H,2-3H2,1H3,(H2,8,11)(H2,9,12)(H,10,13)
InChIKeyPCVNEHFCSXYVGH-UHFFFAOYSA-N
XLogP-1.50
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

N-(4-amino-4-hydroxyiminobutan-2-yl)propanamide
CID 76934536
(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-acetamidobutanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanamide
CID 100933689
CID 178036338
CID 178036338
N-(4-amino-4-hydroxyiminobutan-2-yl)dodecanamide
CID 77069082
(3Z)-3-amino-3-hydroxyimino-N-(1-pyrazol-1-ylpropan-2-yl)propanamide
CID 109374296
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclobutylacetamide
CID 103166128
3-(methylcarbamothioylamino)butanamide
CID 116510284
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide
CID 55033618
2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]acetamide
CID 77027473
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-ethylbutanamide
CID 76934679
propan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate
CID 116657976
3-[(2-propoxyacetyl)amino]butanamide
CID 103711750

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-3-hydroxyiminopropanoyl)amino]butanamide?
The IUPAC name of 3-[(3-amino-3-hydroxyiminopropanoyl)amino]butanamide (CID 104870493) is 3-[(3-amino-3-hydroxyiminopropanoyl)amino]butanamide.
What is the SMILES notation for 3-[(3-amino-3-hydroxyiminopropanoyl)amino]butanamide?
The canonical SMILES for 3-[(3-amino-3-hydroxyiminopropanoyl)amino]butanamide is CC(CC(N)=O)NC(=O)CC(N)=NO.
What is the InChIKey of 3-[(3-amino-3-hydroxyiminopropanoyl)amino]butanamide?
The InChIKey is PCVNEHFCSXYVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O3/c1-4(2-6(9)12)10-7(13)3-5(8)11-14/h4,14H,2-3H2,1H3,(H2,8,11)(H2,9,12)(H,10,13).
What are the key properties of 3-[(3-amino-3-hydroxyiminopropanoyl)amino]butanamide?
3-[(3-amino-3-hydroxyiminopropanoyl)amino]butanamide has a molecular weight of 202.21 g/mol, XLogP of -1.50, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-3-hydroxyiminopropanoyl)amino]butanamide is sourced from PubChem (CID 104870493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).