methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoate

C11H22N2O3 — CID 103954730

IUPACmethyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)N
InChIInChI=1S/C11H22N2O3/c1-7(2)6-8(9(14)16-5)13-10(15)11(3,4)12/h7-8H,6,12H2,1-5H3,(H,13,15)/t8-/m0/s1
InChIKeyHVPBNYDIDXLJLF-QMMMGPOBSA-N
MW230.31 g/mol
LogP0.43
Rot. Bonds5

About methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoate

methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoate (PubChem CID 103954730) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoate
PubChem CID103954730
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)N
InChIInChI=1S/C11H22N2O3/c1-7(2)6-8(9(14)16-5)13-10(15)11(3,4)12/h7-8H,6,12H2,1-5H3,(H,13,15)/t8-/m0/s1
InChIKeyHVPBNYDIDXLJLF-QMMMGPOBSA-N
XLogP0.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid
CID 78975690
methyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate
CID 103954829
methyl (2S)-2-(3,3-dimethylbutanoylamino)-4-methylpentanoate
CID 22872263
methyl 2-(3,3-dimethylbutanoylamino)-4-methylpentanoate
CID 19957218
methyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 14036587
methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoate
CID 61265011
methyl 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate
CID 112603567
methyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate
CID 85353030
methyl (2S)-2-[[(E)-4-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-4-oxobut-2-enoyl]amino]-4-methylpentanoate
CID 11667830
methyl (2R)-2-[(2,2-dichloroacetyl)amino]-4-methylpentanoate
CID 2287365
methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-4-methylpentanoate;hydrochloride
CID 129050762
methyl (2S)-2-[(2-chloroacetyl)amino]-4-methylpentanoate
CID 14260838

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoate?
The IUPAC name of methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoate (CID 103954730) is methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoate?
The canonical SMILES for methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoate is COC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)N.
What is the InChIKey of methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoate?
The InChIKey is HVPBNYDIDXLJLF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7(2)6-8(9(14)16-5)13-10(15)11(3,4)12/h7-8H,6,12H2,1-5H3,(H,13,15)/t8-/m0/s1.
What are the key properties of methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoate?
methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoate has a molecular weight of 230.31 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoate is sourced from PubChem (CID 103954730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).