methyl 4-methyl-2-(propan-2-yloxycarbonylamino)pentanoate

C11H21NO4 — CID 14463277

IUPACmethyl 4-methyl-2-(propan-2-yloxycarbonylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)OC(C)C
InChIInChI=1S/C11H21NO4/c1-7(2)6-9(10(13)15-5)12-11(14)16-8(3)4/h7-9H,6H2,1-5H3,(H,12,14)
InChIKeyPPTHUCRFGLHYLM-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.71
Rot. Bonds5

About methyl 4-methyl-2-(propan-2-yloxycarbonylamino)pentanoate

methyl 4-methyl-2-(propan-2-yloxycarbonylamino)pentanoate (PubChem CID 14463277) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 4-methyl-2-(propan-2-yloxycarbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(propan-2-yloxycarbonylamino)pentanoate
PubChem CID14463277
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl 4-methyl-2-(propan-2-yloxycarbonylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)OC(C)C
InChIInChI=1S/C11H21NO4/c1-7(2)6-9(10(13)15-5)12-11(14)16-8(3)4/h7-9H,6H2,1-5H3,(H,12,14)
InChIKeyPPTHUCRFGLHYLM-UHFFFAOYSA-N
XLogP1.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 14036587
methyl (2S)-3-amino-2-(propan-2-yloxycarbonylamino)propanoate
CID 87499575
methyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-4-methylpentanoate
CID 2166224
methyl 2-[(2-ethoxy-2-oxoacetyl)amino]-4-methylpentanoate
CID 2914892
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-[(2-chloroacetyl)amino]-4-methylpentanoate
CID 14260838
methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-4-methylpentanoate
CID 159698118
methyl (2S)-2-[(2-deuterioacetyl)amino]-4-methylpentanoate
CID 57128770
ethyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 89138775
methyl 2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoate
CID 5159380

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(propan-2-yloxycarbonylamino)pentanoate?
The IUPAC name of methyl 4-methyl-2-(propan-2-yloxycarbonylamino)pentanoate (CID 14463277) is methyl 4-methyl-2-(propan-2-yloxycarbonylamino)pentanoate.
What is the SMILES notation for methyl 4-methyl-2-(propan-2-yloxycarbonylamino)pentanoate?
The canonical SMILES for methyl 4-methyl-2-(propan-2-yloxycarbonylamino)pentanoate is COC(=O)C(CC(C)C)NC(=O)OC(C)C.
What is the InChIKey of methyl 4-methyl-2-(propan-2-yloxycarbonylamino)pentanoate?
The InChIKey is PPTHUCRFGLHYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-7(2)6-9(10(13)15-5)12-11(14)16-8(3)4/h7-9H,6H2,1-5H3,(H,12,14).
What are the key properties of methyl 4-methyl-2-(propan-2-yloxycarbonylamino)pentanoate?
methyl 4-methyl-2-(propan-2-yloxycarbonylamino)pentanoate has a molecular weight of 231.29 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(propan-2-yloxycarbonylamino)pentanoate is sourced from PubChem (CID 14463277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).