methyl 2-[(2-amino-4-phenylbutanoyl)amino]-2-methylpropanoate

C15H22N2O3 — CID 114926078

IUPACmethyl 2-[(2-amino-4-phenylbutanoyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)C(N)CCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-15(2,14(19)20-3)17-13(18)12(16)10-9-11-7-5-4-6-8-11/h4-8,12H,9-10,16H2,1-3H3,(H,17,18)
InChIKeyNZFVNKRNMPTCGY-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.01
Rot. Bonds6

About methyl 2-[(2-amino-4-phenylbutanoyl)amino]-2-methylpropanoate

methyl 2-[(2-amino-4-phenylbutanoyl)amino]-2-methylpropanoate (PubChem CID 114926078) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 2-[(2-amino-4-phenylbutanoyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-4-phenylbutanoyl)amino]-2-methylpropanoate
PubChem CID114926078
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 2-[(2-amino-4-phenylbutanoyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)C(N)CCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-15(2,14(19)20-3)17-13(18)12(16)10-9-11-7-5-4-6-8-11/h4-8,12H,9-10,16H2,1-3H3,(H,17,18)
InChIKeyNZFVNKRNMPTCGY-UHFFFAOYSA-N
XLogP1.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(3-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide
CID 104984859
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
ethyl 2-[[(2S)-1-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-4-phenylbutanoate
CID 13389811
(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide
CID 104984857
4-[[(2S)-2-amino-4-phenylbutanoyl]amino]-4-methylpentanoic acid
CID 104984300
2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115734086
acetic acid;methyl (2S)-2-amino-4-phenylbutanoate
CID 170899372
methyl 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylpropanoate
CID 62474644
methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylpropanoate
CID 104907366
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
2-amino-4-phenyl-N-phenylmethoxybutanamide
CID 76637297
methyl (3S)-2,2-dichloro-3-hydroxy-5-phenylpentanoate
CID 12034293

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-4-phenylbutanoyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2-amino-4-phenylbutanoyl)amino]-2-methylpropanoate (CID 114926078) is methyl 2-[(2-amino-4-phenylbutanoyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2-amino-4-phenylbutanoyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2-amino-4-phenylbutanoyl)amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)C(N)CCc1ccccc1.
What is the InChIKey of methyl 2-[(2-amino-4-phenylbutanoyl)amino]-2-methylpropanoate?
The InChIKey is NZFVNKRNMPTCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,14(19)20-3)17-13(18)12(16)10-9-11-7-5-4-6-8-11/h4-8,12H,9-10,16H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-[(2-amino-4-phenylbutanoyl)amino]-2-methylpropanoate?
methyl 2-[(2-amino-4-phenylbutanoyl)amino]-2-methylpropanoate has a molecular weight of 278.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-4-phenylbutanoyl)amino]-2-methylpropanoate is sourced from PubChem (CID 114926078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).