3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide

C6H14N4O2 — CID 77029016

IUPAC3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide
SMILESCC(NCCC(N)=O)C(N)=NO
InChIInChI=1S/C6H14N4O2/c1-4(6(8)10-12)9-3-2-5(7)11/h4,9,12H,2-3H2,1H3,(H2,7,11)(H2,8,10)
InChIKeyXDCXWLWPBWVWOO-UHFFFAOYSA-N
MW174.20 g/mol
LogP-1.41
Rot. Bonds5

About 3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide

3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide (PubChem CID 77029016) has the molecular formula C6H14N4O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide
PubChem CID77029016
Molecular FormulaC6H14N4O2
Molecular Weight174.20 g/mol
Exact Mass174.11
IUPAC Name3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide
SMILESCC(NCCC(N)=O)C(N)=NO
InChIInChI=1S/C6H14N4O2/c1-4(6(8)10-12)9-3-2-5(7)11/h4,9,12H,2-3H2,1H3,(H2,7,11)(H2,8,10)
InChIKeyXDCXWLWPBWVWOO-UHFFFAOYSA-N
XLogP-1.41
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.41
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

3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propylpropanamide
CID 77032361
3-(propan-2-ylamino)propanamide
CID 18768059
N'-hydroxy-2-(4-hydroxybutylamino)propanimidamide
CID 106842319
N'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide
CID 77028476
N'-hydroxy-2-[2-(methanesulfonamido)ethylamino]propanimidamide
CID 77029418
N'-hydroxy-2-(octylamino)propanimidamide
CID 115568476
N-(5-amino-5-oxopentyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 106240194
2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propan-2-ylacetamide
CID 77030474
2-[(3-amino-3-oxopropyl)amino]-N-(2-methylpropyl)propanamide
CID 43553515
3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide
CID 76926545
2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide
CID 77026359
2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide
CID 77072344

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide?
The IUPAC name of 3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide (CID 77029016) is 3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide.
What is the SMILES notation for 3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide?
The canonical SMILES for 3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide is CC(NCCC(N)=O)C(N)=NO.
What is the InChIKey of 3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide?
The InChIKey is XDCXWLWPBWVWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2/c1-4(6(8)10-12)9-3-2-5(7)11/h4,9,12H,2-3H2,1H3,(H2,7,11)(H2,8,10).
What are the key properties of 3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide?
3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide has a molecular weight of 174.20 g/mol, XLogP of -1.41, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide is sourced from PubChem (CID 77029016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).