4-amino-N-cyclopropyl-3-(1-hydroxypentan-3-ylamino)butanamide

C12H25N3O2 — CID 113495658

IUPAC4-amino-N-cyclopropyl-3-(1-hydroxypentan-3-ylamino)butanamide
SMILESCCC(CCO)NC(CN)CC(=O)NC1CC1
InChIInChI=1S/C12H25N3O2/c1-2-9(5-6-16)14-11(8-13)7-12(17)15-10-3-4-10/h9-11,14,16H,2-8,13H2,1H3,(H,15,17)
InChIKeyQNDBXWWUGFIFEI-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.27
Rot. Bonds9

About 4-amino-N-cyclopropyl-3-(1-hydroxypentan-3-ylamino)butanamide

4-amino-N-cyclopropyl-3-(1-hydroxypentan-3-ylamino)butanamide (PubChem CID 113495658) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-3-(1-hydroxypentan-3-ylamino)butanamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-3-(1-hydroxypentan-3-ylamino)butanamide
PubChem CID113495658
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name4-amino-N-cyclopropyl-3-(1-hydroxypentan-3-ylamino)butanamide
SMILESCCC(CCO)NC(CN)CC(=O)NC1CC1
InChIInChI=1S/C12H25N3O2/c1-2-9(5-6-16)14-11(8-13)7-12(17)15-10-3-4-10/h9-11,14,16H,2-8,13H2,1H3,(H,15,17)
InChIKeyQNDBXWWUGFIFEI-UHFFFAOYSA-N
XLogP-0.27
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-cyclopropyl-3-(1-phenylethylamino)butanamide
CID 66430398
4-amino-N-cyclopropyl-3-[(2,6-dimethylpiperidin-1-yl)amino]butanamide
CID 83010707
3-(cyclopropylamino)pentan-1-ol
CID 83815190
N-cyclopropyl-3-methylhexanamide
CID 155359047
4-amino-N-cyclopropyl-3-[ethyl(2-methylbutyl)amino]butanamide
CID 79478006
2-(butan-2-ylamino)-N'-cyclopropylbutanediamide
CID 66431014
3-amino-N-(4-methylcyclohexyl)butanamide
CID 60835833
4-amino-N-cyclobutyl-3-methylbutanamide
CID 81086885
3-amino-N-cyclopropylhexanamide;ethane;molecular hydrogen
CID 143418812
(3S)-3-amino-N-cyclobutylbutanamide
CID 94423965
4-amino-N-cyclopropyl-3-(3,4,5-trimethylpiperazin-1-yl)butanamide
CID 114537377
4-amino-N-cyclohexyl-3-methylbutanamide
CID 81070976

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-3-(1-hydroxypentan-3-ylamino)butanamide?
The IUPAC name of 4-amino-N-cyclopropyl-3-(1-hydroxypentan-3-ylamino)butanamide (CID 113495658) is 4-amino-N-cyclopropyl-3-(1-hydroxypentan-3-ylamino)butanamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-3-(1-hydroxypentan-3-ylamino)butanamide?
The canonical SMILES for 4-amino-N-cyclopropyl-3-(1-hydroxypentan-3-ylamino)butanamide is CCC(CCO)NC(CN)CC(=O)NC1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-3-(1-hydroxypentan-3-ylamino)butanamide?
The InChIKey is QNDBXWWUGFIFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-2-9(5-6-16)14-11(8-13)7-12(17)15-10-3-4-10/h9-11,14,16H,2-8,13H2,1H3,(H,15,17).
What are the key properties of 4-amino-N-cyclopropyl-3-(1-hydroxypentan-3-ylamino)butanamide?
4-amino-N-cyclopropyl-3-(1-hydroxypentan-3-ylamino)butanamide has a molecular weight of 243.35 g/mol, XLogP of -0.27, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-3-(1-hydroxypentan-3-ylamino)butanamide is sourced from PubChem (CID 113495658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).