methyl (2S)-2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate

C16H25NO2 — CID 43786736

IUPACmethyl (2S)-2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(C)CC(C)(C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-12(17-13(2)15(18)19-5)11-16(3,4)14-9-7-6-8-10-14/h6-10,12-13,17H,11H2,1-5H3/t12?,13-/m0/s1
InChIKeyYXUDQQNLKADFKO-ABLWVSNPSA-N
MW263.38 g/mol
LogP2.89
Rot. Bonds6

About methyl (2S)-2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate

methyl (2S)-2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate (PubChem CID 43786736) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is methyl (2S)-2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate
PubChem CID43786736
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namemethyl (2S)-2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(C)CC(C)(C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-12(17-13(2)15(18)19-5)11-16(3,4)14-9-7-6-8-10-14/h6-10,12-13,17H,11H2,1-5H3/t12?,13-/m0/s1
InChIKeyYXUDQQNLKADFKO-ABLWVSNPSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate
CID 60781932
methyl (2S)-2-[(3,3-dimethyl-1-phenylbutyl)amino]propanoate
CID 43786798
4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine
CID 81351069
4-amino-3-methoxy-N-(4-methyl-4-phenylpentan-2-yl)butanamide;hydrochloride
CID 120590624
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
2-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 119755775
2-amino-4-methyl-4-phenylpentanoic acid
CID 11287233
2,4,6,8-tetramethyl-2,8-diphenylnonan-5-one
CID 150218147
N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide
CID 95376601
2-methyl-3-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 119755787
methyl 3-amino-2-hydroxy-3-phenylbutanoate
CID 74334118
methyl 2-amino-2,4-dimethyl-4-phenylpentanoate
CID 14899524

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate (CID 43786736) is methyl (2S)-2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate is COC(=O)[C@H](C)NC(C)CC(C)(C)c1ccccc1.
What is the InChIKey of methyl (2S)-2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate?
The InChIKey is YXUDQQNLKADFKO-ABLWVSNPSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(17-13(2)15(18)19-5)11-16(3,4)14-9-7-6-8-10-14/h6-10,12-13,17H,11H2,1-5H3/t12?,13-/m0/s1.
What are the key properties of methyl (2S)-2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate?
methyl (2S)-2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate has a molecular weight of 263.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate is sourced from PubChem (CID 43786736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).