2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid

C9H17NO4 — CID 10608215

IUPAC2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid
SMILESCOC(=O)N(C)C(CC(C)C)C(=O)O
InChIInChI=1S/C9H17NO4/c1-6(2)5-7(8(11)12)10(3)9(13)14-4/h6-7H,5H2,1-4H3,(H,11,12)
InChIKeyJGZHCAIDIOLTGA-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.18
Rot. Bonds4

About 2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid

2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid (PubChem CID 10608215) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid
PubChem CID10608215
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid
SMILESCOC(=O)N(C)C(CC(C)C)C(=O)O
InChIInChI=1S/C9H17NO4/c1-6(2)5-7(8(11)12)10(3)9(13)14-4/h6-7H,5H2,1-4H3,(H,11,12)
InChIKeyJGZHCAIDIOLTGA-UHFFFAOYSA-N
XLogP1.18
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[bis(methoxycarbonyl)amino]-4-methylpentanoic acid
CID 174649124
4-methyl-2-[methyl(2-trimethylsilyloxyethoxycarbonyl)amino]pentanoic acid
CID 175135536
(2S)-4-methyl-2-[methyl(2-trimethylsilyloxyethoxycarbonyl)amino]pentanoic acid
CID 175135533
(2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride
CID 138393753
2-[2-methoxyethyl(methyl)amino]-4-methylpentanoic acid
CID 18426364
methyl (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
CID 131852765
(2S)-2-(dibromoamino)-4-methylpentanoic acid
CID 57045725
tert-butyl N-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
CID 141416319
(2S)-4-methyl-2-[methyl(octanoyl)amino]pentanoic acid
CID 10945558
CID 87647467
CID 87647467
2-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxypropanoic acid
CID 85313440
4-methyl-2-[methyl-[2-methyl-3-[(2R)-2-(2-methylpropanoylamino)propanoyl]oxypropanoyl]amino]pentanoic acid
CID 167269919

Frequently Asked Questions

What is the IUPAC name of 2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid (CID 10608215) is 2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid is COC(=O)N(C)C(CC(C)C)C(=O)O.
What is the InChIKey of 2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid?
The InChIKey is JGZHCAIDIOLTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-6(2)5-7(8(11)12)10(3)9(13)14-4/h6-7H,5H2,1-4H3,(H,11,12).
What are the key properties of 2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid?
2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid has a molecular weight of 203.24 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 10608215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).