3-amino-3-cyclopropyl-N-(4-hydroxybutyl)propanamide

C10H20N2O2 — CID 106841999

IUPAC3-amino-3-cyclopropyl-N-(4-hydroxybutyl)propanamide
SMILESNC(CC(=O)NCCCCO)C1CC1
InChIInChI=1S/C10H20N2O2/c11-9(8-3-4-8)7-10(14)12-5-1-2-6-13/h8-9,13H,1-7,11H2,(H,12,14)
InChIKeyXBDYRGJMVWKFEL-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.00
Rot. Bonds7

About 3-amino-3-cyclopropyl-N-(4-hydroxybutyl)propanamide

3-amino-3-cyclopropyl-N-(4-hydroxybutyl)propanamide (PubChem CID 106841999) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-N-(4-hydroxybutyl)propanamide.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-N-(4-hydroxybutyl)propanamide
PubChem CID106841999
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-amino-3-cyclopropyl-N-(4-hydroxybutyl)propanamide
SMILESNC(CC(=O)NCCCCO)C1CC1
InChIInChI=1S/C10H20N2O2/c11-9(8-3-4-8)7-10(14)12-5-1-2-6-13/h8-9,13H,1-7,11H2,(H,12,14)
InChIKeyXBDYRGJMVWKFEL-UHFFFAOYSA-N
XLogP0.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-cyclopropyl-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106148074
3-amino-N-(5-hydroxypentyl)-4-methylpentanamide
CID 107317604
3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide
CID 107296077
3-amino-3-cyclopropyl-N-(2,3,3-trimethylbutyl)propanamide
CID 83141491
(2R)-2-[(3-amino-3-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid
CID 107825292
3-amino-3-cyclopropyl-N',N'-dimethylpropanehydrazide
CID 83020966
5-[(3-amino-3-cyclopropylpropanoyl)amino]-4-methylpentanoic acid
CID 82689472
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086
N-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide
CID 106841935
2-cyclopropyl-N-(3-hydroxypropyl)propanamide
CID 81449535
3-amino-3-cyclopropyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101542
3-amino-3-cyclopropyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 114150174

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-N-(4-hydroxybutyl)propanamide?
The IUPAC name of 3-amino-3-cyclopropyl-N-(4-hydroxybutyl)propanamide (CID 106841999) is 3-amino-3-cyclopropyl-N-(4-hydroxybutyl)propanamide.
What is the SMILES notation for 3-amino-3-cyclopropyl-N-(4-hydroxybutyl)propanamide?
The canonical SMILES for 3-amino-3-cyclopropyl-N-(4-hydroxybutyl)propanamide is NC(CC(=O)NCCCCO)C1CC1.
What is the InChIKey of 3-amino-3-cyclopropyl-N-(4-hydroxybutyl)propanamide?
The InChIKey is XBDYRGJMVWKFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c11-9(8-3-4-8)7-10(14)12-5-1-2-6-13/h8-9,13H,1-7,11H2,(H,12,14).
What are the key properties of 3-amino-3-cyclopropyl-N-(4-hydroxybutyl)propanamide?
3-amino-3-cyclopropyl-N-(4-hydroxybutyl)propanamide has a molecular weight of 200.28 g/mol, XLogP of 0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-N-(4-hydroxybutyl)propanamide is sourced from PubChem (CID 106841999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).