3-amino-N-cyclopropyl-2-hydroxypropanamide;N-propan-2-ylpropanamide

C12H25N3O3 — CID 171640381

IUPAC3-amino-N-cyclopropyl-2-hydroxypropanamide;N-propan-2-ylpropanamide
SMILESCCC(=O)NC(C)C.NCC(O)C(=O)NC1CC1
InChIInChI=1S/C6H12N2O2.C6H13NO/c7-3-5(9)6(10)8-4-1-2-4;1-4-6(8)7-5(2)3/h4-5,9H,1-3,7H2,(H,8,10);5H,4H2,1-3H3,(H,7,8)
InChIKeyXZNQCNWAOIBTBJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP-0.49
Rot. Bonds5

About 3-amino-N-cyclopropyl-2-hydroxypropanamide;N-propan-2-ylpropanamide

3-amino-N-cyclopropyl-2-hydroxypropanamide;N-propan-2-ylpropanamide (PubChem CID 171640381) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-2-hydroxypropanamide;N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-2-hydroxypropanamide;N-propan-2-ylpropanamide
PubChem CID171640381
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name3-amino-N-cyclopropyl-2-hydroxypropanamide;N-propan-2-ylpropanamide
SMILESCCC(=O)NC(C)C.NCC(O)C(=O)NC1CC1
InChIInChI=1S/C6H12N2O2.C6H13NO/c7-3-5(9)6(10)8-4-1-2-4;1-4-6(8)7-5(2)3/h4-5,9H,1-3,7H2,(H,8,10);5H,4H2,1-3H3,(H,7,8)
InChIKeyXZNQCNWAOIBTBJ-UHFFFAOYSA-N
XLogP-0.49
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719
N-cyclopentyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43402010
4-[(3-amino-2-methylpropanoyl)amino]cyclohexane-1-carboxamide
CID 62670323
N-cyclodecylpropanamide
CID 122483649
N-cyclooctylpropanamide
CID 3387497
N-cyclododecylpropanamide
CID 2784600
5-amino-4-cyclohexyl-N-propan-2-ylpentanamide
CID 112515743
4-amino-N-cyclobutyl-3-methylbutanamide
CID 81086885
2-[[N-(4-ethylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119158353
ethyl 4-[[2-(aminomethyl)-3-methylbutanoyl]amino]cyclohexane-1-carboxylate
CID 65229579
(2R)-N-cyclobutyl-2-methylbutanamide
CID 129182523

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-2-hydroxypropanamide;N-propan-2-ylpropanamide?
The IUPAC name of 3-amino-N-cyclopropyl-2-hydroxypropanamide;N-propan-2-ylpropanamide (CID 171640381) is 3-amino-N-cyclopropyl-2-hydroxypropanamide;N-propan-2-ylpropanamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-2-hydroxypropanamide;N-propan-2-ylpropanamide?
The canonical SMILES for 3-amino-N-cyclopropyl-2-hydroxypropanamide;N-propan-2-ylpropanamide is CCC(=O)NC(C)C.NCC(O)C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-2-hydroxypropanamide;N-propan-2-ylpropanamide?
The InChIKey is XZNQCNWAOIBTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.C6H13NO/c7-3-5(9)6(10)8-4-1-2-4;1-4-6(8)7-5(2)3/h4-5,9H,1-3,7H2,(H,8,10);5H,4H2,1-3H3,(H,7,8).
What are the key properties of 3-amino-N-cyclopropyl-2-hydroxypropanamide;N-propan-2-ylpropanamide?
3-amino-N-cyclopropyl-2-hydroxypropanamide;N-propan-2-ylpropanamide has a molecular weight of 259.35 g/mol, XLogP of -0.49, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-2-hydroxypropanamide;N-propan-2-ylpropanamide is sourced from PubChem (CID 171640381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).