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

C11H22N2O4 — CID 165482152

IUPAC3-amino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(C)(C)OC(=O)NC(C)(C)C(N)CC(=O)O
InChIInChI=1S/C11H22N2O4/c1-10(2,3)17-9(16)13-11(4,5)7(12)6-8(14)15/h7H,6,12H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyVOLXKQNQXVEGLN-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.09
Rot. Bonds4

About 3-amino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

3-amino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (PubChem CID 165482152) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-amino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.

Molecular Properties

Compound Name3-amino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
PubChem CID165482152
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name3-amino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(C)(C)OC(=O)NC(C)(C)C(N)CC(=O)O
InChIInChI=1S/C11H22N2O4/c1-10(2,3)17-9(16)13-11(4,5)7(12)6-8(14)15/h7H,6,12H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyVOLXKQNQXVEGLN-UHFFFAOYSA-N
XLogP1.09
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid with MolForge

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Related Compounds

(3S)-4-[[3-carboxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethoxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 175887824
3-amino-4,4-dimethylpentanoic acid;hydrochloride
CID 89306426
(3S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 7018765
tert-butyl N-[2,4-dimethyl-3-(methylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 118190950
(3S)-3-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 53486162
(3R,4S)-3-amino-5-(ethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 18607786
tert-butyl N-[(1S)-1,2-diaminoethyl]carbamate
CID 95800069
tert-butyl N-[(1R)-1-aminopropyl]carbamate
CID 45092381
2-amino-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 123216246
(3R)-5-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 131637281
(3S)-4-iodo-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 118280254
(3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 118276545

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The IUPAC name of 3-amino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (CID 165482152) is 3-amino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.
What is the SMILES notation for 3-amino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The canonical SMILES for 3-amino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is CC(C)(C)OC(=O)NC(C)(C)C(N)CC(=O)O.
What is the InChIKey of 3-amino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The InChIKey is VOLXKQNQXVEGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-10(2,3)17-9(16)13-11(4,5)7(12)6-8(14)15/h7H,6,12H2,1-5H3,(H,13,16)(H,14,15).
What are the key properties of 3-amino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
3-amino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid has a molecular weight of 246.31 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is sourced from PubChem (CID 165482152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).