(2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methylamino)-3-phenylpropanamide

C16H26N2O2 — CID 70540620

IUPAC(2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methylamino)-3-phenylpropanamide
SMILESCN[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)CC(C)C
InChIInChI=1S/C16H26N2O2/c1-12(2)9-14(11-19)18-16(20)15(17-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,17,19H,9-11H2,1-3H3,(H,18,20)/t14-,15-/m0/s1
InChIKeySLFCFVPUVUSIIH-GJZGRUSLSA-N
MW278.40 g/mol
LogP1.34
Rot. Bonds8

About (2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methylamino)-3-phenylpropanamide

(2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methylamino)-3-phenylpropanamide (PubChem CID 70540620) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methylamino)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methylamino)-3-phenylpropanamide
PubChem CID70540620
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methylamino)-3-phenylpropanamide
SMILESCN[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)CC(C)C
InChIInChI=1S/C16H26N2O2/c1-12(2)9-14(11-19)18-16(20)15(17-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,17,19H,9-11H2,1-3H3,(H,18,20)/t14-,15-/m0/s1
InChIKeySLFCFVPUVUSIIH-GJZGRUSLSA-N
XLogP1.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-4-methylpentanamide
CID 13055249
(2S)-4-methyl-2-(methylamino)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]pentanamide
CID 122429933
2-[[4-methyl-2-[[2-(methylamino)-3-phenylpropanoyl]amino]pentanoyl]amino]benzoic acid
CID 162945768
(2S)-2-(methylamino)-N-[2-(methylamino)ethyl]-3-phenylpropanamide
CID 100959272
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid
CID 18298607
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 145457847
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide
CID 174410015
(2R)-N-ethyl-2-(methylamino)-3-phenylpropanamide
CID 10608375
(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[(3,5-dimethylphenyl)carbamoylamino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpentanamide
CID 101170780
(2S)-2-[[(2S)-2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 175824879
2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18223252

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methylamino)-3-phenylpropanamide?
The IUPAC name of (2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methylamino)-3-phenylpropanamide (CID 70540620) is (2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methylamino)-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methylamino)-3-phenylpropanamide?
The canonical SMILES for (2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methylamino)-3-phenylpropanamide is CN[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)CC(C)C.
What is the InChIKey of (2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methylamino)-3-phenylpropanamide?
The InChIKey is SLFCFVPUVUSIIH-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)9-14(11-19)18-16(20)15(17-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,17,19H,9-11H2,1-3H3,(H,18,20)/t14-,15-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methylamino)-3-phenylpropanamide?
(2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methylamino)-3-phenylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 1.34, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methylamino)-3-phenylpropanamide is sourced from PubChem (CID 70540620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).