2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide

C14H22N2O2 — CID 107863311

IUPAC2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-10(2)8-12(15)14(18)16-13(9-17)11-6-4-3-5-7-11/h3-7,10,12-13,17H,8-9,15H2,1-2H3,(H,16,18)/t12?,13-/m0/s1
InChIKeyZZEJEGRHWXVJIL-ABLWVSNPSA-N
MW250.34 g/mol
LogP1.21
Rot. Bonds6

About 2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide

2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide (PubChem CID 107863311) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide
PubChem CID107863311
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-10(2)8-12(15)14(18)16-13(9-17)11-6-4-3-5-7-11/h3-7,10,12-13,17H,8-9,15H2,1-2H3,(H,16,18)/t12?,13-/m0/s1
InChIKeyZZEJEGRHWXVJIL-ABLWVSNPSA-N
XLogP1.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide
CID 61155123
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
2-(carbamoylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylpentanamide
CID 63182493
(2S)-2-amino-4-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119669721
2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide
CID 114010258
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-3-phenylpropanamide
CID 107863190
(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide
CID 78972266
(3S)-3-[[(2S,3S,4R,5S)-5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid
CID 11113216
2-amino-N-(2-hydroxy-1-phenylethyl)hexanamide
CID 63183660
2-amino-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 63183868
5-[(2-amino-4-methylpentanoyl)amino]-N-(3-amino-3-oxo-1-phenylpropyl)-2,3,4,6-tetrahydroxyhexanamide
CID 18465975
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-phenylacetate;hydrochloride
CID 142643304

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide?
The IUPAC name of 2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide (CID 107863311) is 2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide?
The canonical SMILES for 2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide is CC(C)CC(N)C(=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of 2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide?
The InChIKey is ZZEJEGRHWXVJIL-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)8-12(15)14(18)16-13(9-17)11-6-4-3-5-7-11/h3-7,10,12-13,17H,8-9,15H2,1-2H3,(H,16,18)/t12?,13-/m0/s1.
What are the key properties of 2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide?
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide has a molecular weight of 250.34 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide is sourced from PubChem (CID 107863311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).