[4-[carboxy(methyl)amino]-2,4-dimethylpentan-2-yl]-methylcarbamic acid

C11H22N2O4 — CID 88887807

IUPAC[4-[carboxy(methyl)amino]-2,4-dimethylpentan-2-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C(C)(C)CC(C)(C)N(C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-10(2,12(5)8(14)15)7-11(3,4)13(6)9(16)17/h7H2,1-6H3,(H,14,15)(H,16,17)
InChIKeyFCDSDSWXZXGLPX-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.15
Rot. Bonds4

About [4-[carboxy(methyl)amino]-2,4-dimethylpentan-2-yl]-methylcarbamic acid

[4-[carboxy(methyl)amino]-2,4-dimethylpentan-2-yl]-methylcarbamic acid (PubChem CID 88887807) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is [4-[carboxy(methyl)amino]-2,4-dimethylpentan-2-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[4-[carboxy(methyl)amino]-2,4-dimethylpentan-2-yl]-methylcarbamic acid
PubChem CID88887807
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name[4-[carboxy(methyl)amino]-2,4-dimethylpentan-2-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C(C)(C)CC(C)(C)N(C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-10(2,12(5)8(14)15)7-11(3,4)13(6)9(16)17/h7H2,1-6H3,(H,14,15)(H,16,17)
InChIKeyFCDSDSWXZXGLPX-UHFFFAOYSA-N
XLogP2.15
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[carboxy(methyl)amino]-2,4-dimethylpentan-2-yl]-methylcarbamic acid?
The IUPAC name of [4-[carboxy(methyl)amino]-2,4-dimethylpentan-2-yl]-methylcarbamic acid (CID 88887807) is [4-[carboxy(methyl)amino]-2,4-dimethylpentan-2-yl]-methylcarbamic acid.
What is the SMILES notation for [4-[carboxy(methyl)amino]-2,4-dimethylpentan-2-yl]-methylcarbamic acid?
The canonical SMILES for [4-[carboxy(methyl)amino]-2,4-dimethylpentan-2-yl]-methylcarbamic acid is CN(C(=O)O)C(C)(C)CC(C)(C)N(C)C(=O)O.
What is the InChIKey of [4-[carboxy(methyl)amino]-2,4-dimethylpentan-2-yl]-methylcarbamic acid?
The InChIKey is FCDSDSWXZXGLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-10(2,12(5)8(14)15)7-11(3,4)13(6)9(16)17/h7H2,1-6H3,(H,14,15)(H,16,17).
What are the key properties of [4-[carboxy(methyl)amino]-2,4-dimethylpentan-2-yl]-methylcarbamic acid?
[4-[carboxy(methyl)amino]-2,4-dimethylpentan-2-yl]-methylcarbamic acid has a molecular weight of 246.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[carboxy(methyl)amino]-2,4-dimethylpentan-2-yl]-methylcarbamic acid is sourced from PubChem (CID 88887807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).