2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-cyclopropylacetamide

C8H16N4O2 — CID 77029214

IUPAC2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-cyclopropylacetamide
SMILESCC(NCC(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C8H16N4O2/c1-5(8(9)12-14)10-4-7(13)11-6-2-3-6/h5-6,10,14H,2-4H2,1H3,(H2,9,12)(H,11,13)
InChIKeyRAWPQWWKANHASL-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.01
Rot. Bonds5

About 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-cyclopropylacetamide

2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-cyclopropylacetamide (PubChem CID 77029214) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-cyclopropylacetamide
PubChem CID77029214
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-cyclopropylacetamide
SMILESCC(NCC(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C8H16N4O2/c1-5(8(9)12-14)10-4-7(13)11-6-2-3-6/h5-6,10,14H,2-4H2,1H3,(H2,9,12)(H,11,13)
InChIKeyRAWPQWWKANHASL-UHFFFAOYSA-N
XLogP-1.01
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.01
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

2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide
CID 103914129
2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propan-2-ylacetamide
CID 77030474
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-cyclopropylpropanamide
CID 113248238
methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoate
CID 60691118
3-[(4-amino-4-hydroxyiminobutan-2-yl)amino]-N-cyclopropylpropanamide
CID 79400718
3-amino-N-cyclopropyl-3-hydroxyimino-2-methylpropanamide
CID 76925873
N-(4-aminocyclohexyl)-2-(propan-2-ylamino)acetamide
CID 62319444
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-diethylpropanamide
CID 43420346
(2R)-2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoic acid
CID 83194051
2-(butan-2-ylamino)-N-(4-hydroxycyclohexyl)acetamide
CID 60852285
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925874
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79391522

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-cyclopropylacetamide (CID 77029214) is 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-cyclopropylacetamide is CC(NCC(=O)NC1CC1)C(N)=NO.
What is the InChIKey of 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-cyclopropylacetamide?
The InChIKey is RAWPQWWKANHASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-5(8(9)12-14)10-4-7(13)11-6-2-3-6/h5-6,10,14H,2-4H2,1H3,(H2,9,12)(H,11,13).
What are the key properties of 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-cyclopropylacetamide?
2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-cyclopropylacetamide has a molecular weight of 200.24 g/mol, XLogP of -1.01, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 77029214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).