2-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid

C12H23NO4 — CID 87385696

IUPAC2-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
SMILESCC(CC(C)N(C)C(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C12H23NO4/c1-8(10(14)15)7-9(2)13(6)11(16)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,14,15)
InChIKeyLAIXNGAOKPRLLH-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.35
Rot. Bonds4

About 2-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid

2-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid (PubChem CID 87385696) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
PubChem CID87385696
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name2-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
SMILESCC(CC(C)N(C)C(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C12H23NO4/c1-8(10(14)15)7-9(2)13(6)11(16)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,14,15)
InChIKeyLAIXNGAOKPRLLH-UHFFFAOYSA-N
XLogP2.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}-4-methylpentanoic acid
CID 7010555
N-alpha-t-Butyloxycarbonyl-N-alpha-methyl-L-isoleucine
CID 7017970
2-(((Tert-butoxy)carbonyl)(methyl)amino)-3-methylpentanoic acid
CID 3348571
4-{[(Tert-butoxy)carbonyl](methyl)amino}butanoic acid
CID 10656390
1-[(Tert-butoxy)carbonyl]-5-methylpyrrolidine-3-carboxylic acid
CID 58504770
1-((Tert-butoxy)carbonyl)-2,2-dimethylpiperidine-4-carboxylic acid
CID 84805595
rac-(2R,4R)-1-((tert-butoxy)carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 98010222
(2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}-4-fluoro-4-methylpentanoic acid
CID 118704858
3-{[(Tert-butoxy)carbonyl](methyl)amino}cyclobutane-1-carboxylic acid
CID 118798285
(5R)-1-((Tert-butoxy)carbonyl)-5-methylpyrrolidine-3-carboxylic acid
CID 132352736
1-Boc-2-methylpiperidine-4-carboxylic Acid
CID 22327018
1-[(Tert-butoxy)carbonyl]-2-ethylpyrrolidine-3-carboxylic acid
CID 71773399

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The IUPAC name of 2-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid (CID 87385696) is 2-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid.
What is the SMILES notation for 2-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The canonical SMILES for 2-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid is CC(CC(C)N(C)C(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 2-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The InChIKey is LAIXNGAOKPRLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-8(10(14)15)7-9(2)13(6)11(16)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,14,15).
What are the key properties of 2-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
2-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid has a molecular weight of 245.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid is sourced from PubChem (CID 87385696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).