3-(benzylamino)-3-cyano-N-cyclopropyl-2-hydroxypropanamide

C14H17N3O2 — CID 134356407

IUPAC3-(benzylamino)-3-cyano-N-cyclopropyl-2-hydroxypropanamide
SMILESN#CC(NCc1ccccc1)C(O)C(=O)NC1CC1
InChIInChI=1S/C14H17N3O2/c15-8-12(13(18)14(19)17-11-6-7-11)16-9-10-4-2-1-3-5-10/h1-5,11-13,16,18H,6-7,9H2,(H,17,19)
InChIKeyCAHWWGAQJZAVEB-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.31
Rot. Bonds6

About 3-(benzylamino)-3-cyano-N-cyclopropyl-2-hydroxypropanamide

3-(benzylamino)-3-cyano-N-cyclopropyl-2-hydroxypropanamide (PubChem CID 134356407) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(benzylamino)-3-cyano-N-cyclopropyl-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(benzylamino)-3-cyano-N-cyclopropyl-2-hydroxypropanamide
PubChem CID134356407
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-(benzylamino)-3-cyano-N-cyclopropyl-2-hydroxypropanamide
SMILESN#CC(NCc1ccccc1)C(O)C(=O)NC1CC1
InChIInChI=1S/C14H17N3O2/c15-8-12(13(18)14(19)17-11-6-7-11)16-9-10-4-2-1-3-5-10/h1-5,11-13,16,18H,6-7,9H2,(H,17,19)
InChIKeyCAHWWGAQJZAVEB-UHFFFAOYSA-N
XLogP0.31
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide
CID 66644721
3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride
CID 66644720
2-amino-3-(benzylamino)butanedinitrile
CID 130279575
(2S)-2-(benzylamino)-3-ethylpentanenitrile
CID 100926480
N-cyclopropyl-2-phenylacetamide
CID 5175687
2-(benzylamino)-2-hydroxyacetic acid
CID 163519207
N-(4-cyanocyclohexyl)-2-phenylacetamide
CID 115270171
(2R,3R)-2-(benzylamino)-3-phenylbutanenitrile
CID 10755680
(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide
CID 119285391
2-cyano-N-(3-methylcyclopentyl)-3-phenylpropanamide
CID 114546508
N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide
CID 70849144
3-amino-N-cyclopentyl-2-hydroxy-4-phenylbutanamide
CID 23297928

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-3-cyano-N-cyclopropyl-2-hydroxypropanamide?
The IUPAC name of 3-(benzylamino)-3-cyano-N-cyclopropyl-2-hydroxypropanamide (CID 134356407) is 3-(benzylamino)-3-cyano-N-cyclopropyl-2-hydroxypropanamide.
What is the SMILES notation for 3-(benzylamino)-3-cyano-N-cyclopropyl-2-hydroxypropanamide?
The canonical SMILES for 3-(benzylamino)-3-cyano-N-cyclopropyl-2-hydroxypropanamide is N#CC(NCc1ccccc1)C(O)C(=O)NC1CC1.
What is the InChIKey of 3-(benzylamino)-3-cyano-N-cyclopropyl-2-hydroxypropanamide?
The InChIKey is CAHWWGAQJZAVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-8-12(13(18)14(19)17-11-6-7-11)16-9-10-4-2-1-3-5-10/h1-5,11-13,16,18H,6-7,9H2,(H,17,19).
What are the key properties of 3-(benzylamino)-3-cyano-N-cyclopropyl-2-hydroxypropanamide?
3-(benzylamino)-3-cyano-N-cyclopropyl-2-hydroxypropanamide has a molecular weight of 259.31 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-3-cyano-N-cyclopropyl-2-hydroxypropanamide is sourced from PubChem (CID 134356407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).