4-[methyl(2-methylpropoxycarbonyl)amino]butanoic acid

C10H19NO4 — CID 43151871

IUPAC4-[methyl(2-methylpropoxycarbonyl)amino]butanoic acid
SMILESCC(C)COC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C10H19NO4/c1-8(2)7-15-10(14)11(3)6-4-5-9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyIOHGFZJQHFALFN-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.58
Rot. Bonds6

About 4-[methyl(2-methylpropoxycarbonyl)amino]butanoic acid

4-[methyl(2-methylpropoxycarbonyl)amino]butanoic acid (PubChem CID 43151871) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-[methyl(2-methylpropoxycarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(2-methylpropoxycarbonyl)amino]butanoic acid
PubChem CID43151871
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4-[methyl(2-methylpropoxycarbonyl)amino]butanoic acid
SMILESCC(C)COC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C10H19NO4/c1-8(2)7-15-10(14)11(3)6-4-5-9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyIOHGFZJQHFALFN-UHFFFAOYSA-N
XLogP1.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-(Tert-butoxycarbonyl)azetidin-3-yl)acetic acid
CID 11095989
4-{[(Tert-butoxy)carbonyl](methyl)amino}butanoic acid
CID 10656390
4-[(Methoxycarbonyl)(methyl)amino]butanoic acid
CID 18442970
1-[(2-Methylpropoxy)carbonyl]piperidine-4-carboxylic acid
CID 23297951
4-((Tert-butoxycarbonyl)(2-oxoethyl)amino)butanoic acid
CID 138963736
2-(1-(Tert-butoxycarbonyl)azetidin-3-yl)acetic-2,2-d2 acid
CID 164888810
4-[Methyl(2,2,2-trifluoroethoxycarbonyl)amino]butanoic acid
CID 61170592
Methyl 4-(tert-butoxycarbonyl(methyl)amino)butanoate
CID 10681033
1-(Ethoxycarbonyl)-3-pyrrolidinecarboxylic acid
CID 14989183
1-Butoxycarbonylpyrrolidine-3-carboxylic acid
CID 17881578
N-Butoxycarbonyl-4-piperidinecarboxylic acid
CID 18419728
4-(2-Methylpropoxycarbonylamino)butanoic acid
CID 28377770

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-methylpropoxycarbonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(2-methylpropoxycarbonyl)amino]butanoic acid (CID 43151871) is 4-[methyl(2-methylpropoxycarbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(2-methylpropoxycarbonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(2-methylpropoxycarbonyl)amino]butanoic acid is CC(C)COC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl(2-methylpropoxycarbonyl)amino]butanoic acid?
The InChIKey is IOHGFZJQHFALFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-8(2)7-15-10(14)11(3)6-4-5-9(12)13/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 4-[methyl(2-methylpropoxycarbonyl)amino]butanoic acid?
4-[methyl(2-methylpropoxycarbonyl)amino]butanoic acid has a molecular weight of 217.26 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-methylpropoxycarbonyl)amino]butanoic acid is sourced from PubChem (CID 43151871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).