3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride

C13H20Cl2N2O2 — CID 66644720

IUPAC3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride
SMILESCl.Cl.NC(Cc1ccccc1)C(O)C(=O)NC1CC1
InChIInChI=1S/C13H18N2O2.2ClH/c14-11(8-9-4-2-1-3-5-9)12(16)13(17)15-10-6-7-10;;/h1-5,10-12,16H,6-8,14H2,(H,15,17);2*1H
InChIKeyYWYLRDLNNYCHGJ-UHFFFAOYSA-N
MW307.22 g/mol
LogP1.04
Rot. Bonds5

About 3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride

3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride (PubChem CID 66644720) has the molecular formula C13H20Cl2N2O2 and a molecular weight of 307.22 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride
PubChem CID66644720
Molecular FormulaC13H20Cl2N2O2
Molecular Weight307.22 g/mol
Exact Mass306.09
IUPAC Name3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride
SMILESCl.Cl.NC(Cc1ccccc1)C(O)C(=O)NC1CC1
InChIInChI=1S/C13H18N2O2.2ClH/c14-11(8-9-4-2-1-3-5-9)12(16)13(17)15-10-6-7-10;;/h1-5,10-12,16H,6-8,14H2,(H,15,17);2*1H
InChIKeyYWYLRDLNNYCHGJ-UHFFFAOYSA-N
XLogP1.04
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide
CID 66644721
3-amino-N-cyclopentyl-2-hydroxy-4-phenylbutanamide
CID 23297928
(3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide
CID 56998596
2-amino-N-[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methylbutanamide;hydrochloride
CID 146222527
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119319374
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide
CID 119285391
(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide
CID 57194593
2-amino-N-(4-ethylcyclohexyl)-3-phenylpropanamide
CID 61470376
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3-phenylpropanamide
CID 55030074
(3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one
CID 59897360
(3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide
CID 69029068

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride?
The IUPAC name of 3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride (CID 66644720) is 3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride is Cl.Cl.NC(Cc1ccccc1)C(O)C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride?
The InChIKey is YWYLRDLNNYCHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.2ClH/c14-11(8-9-4-2-1-3-5-9)12(16)13(17)15-10-6-7-10;;/h1-5,10-12,16H,6-8,14H2,(H,15,17);2*1H.
What are the key properties of 3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride?
3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride has a molecular weight of 307.22 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride is sourced from PubChem (CID 66644720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).