3-[methyl(propan-2-yloxycarbonyl)amino]butanoic acid

C9H17NO4 — CID 175069072

IUPAC3-[methyl(propan-2-yloxycarbonyl)amino]butanoic acid
SMILESCC(C)OC(=O)N(C)C(C)CC(=O)O
InChIInChI=1S/C9H17NO4/c1-6(2)14-9(13)10(4)7(3)5-8(11)12/h6-7H,5H2,1-4H3,(H,11,12)
InChIKeyIJQPOSOTDLKULG-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.33
Rot. Bonds4

About 3-[methyl(propan-2-yloxycarbonyl)amino]butanoic acid

3-[methyl(propan-2-yloxycarbonyl)amino]butanoic acid (PubChem CID 175069072) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-[methyl(propan-2-yloxycarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[methyl(propan-2-yloxycarbonyl)amino]butanoic acid
PubChem CID175069072
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name3-[methyl(propan-2-yloxycarbonyl)amino]butanoic acid
SMILESCC(C)OC(=O)N(C)C(C)CC(=O)O
InChIInChI=1S/C9H17NO4/c1-6(2)14-9(13)10(4)7(3)5-8(11)12/h6-7H,5H2,1-4H3,(H,11,12)
InChIKeyIJQPOSOTDLKULG-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethoxycarbonyl(methyl)amino]butanoic acid
CID 175076556
propan-2-yl N-(4-bromobutan-2-yl)-N-methylcarbamate
CID 88981473
3-[(2-ethoxy-2-oxoacetyl)-methylamino]butanoic acid
CID 155341157
2-[methyl(propan-2-yloxycarbonyl)amino]propanoic acid
CID 62627138
propan-2-yl N-methyl-N-(4-methylsulfanylbutan-2-yl)carbamate
CID 116658052
3-[methyl-(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 110834695
(3S)-3-[benzoyl(methyl)amino]butanoic acid
CID 98014257
3,3-di(propan-2-yloxy)propanoic acid
CID 87167020
3-[methyl(2-methylpropyl)amino]butanoic acid
CID 43537457
propan-2-yl N-hexyl-N-methylcarbamate
CID 88569732
propan-2-yl N,N-difluorocarbamate
CID 536200
propan-2-yl 2-[methyl(propanoyl)amino]propanoate
CID 134504961

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yloxycarbonyl)amino]butanoic acid?
The IUPAC name of 3-[methyl(propan-2-yloxycarbonyl)amino]butanoic acid (CID 175069072) is 3-[methyl(propan-2-yloxycarbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[methyl(propan-2-yloxycarbonyl)amino]butanoic acid?
The canonical SMILES for 3-[methyl(propan-2-yloxycarbonyl)amino]butanoic acid is CC(C)OC(=O)N(C)C(C)CC(=O)O.
What is the InChIKey of 3-[methyl(propan-2-yloxycarbonyl)amino]butanoic acid?
The InChIKey is IJQPOSOTDLKULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-6(2)14-9(13)10(4)7(3)5-8(11)12/h6-7H,5H2,1-4H3,(H,11,12).
What are the key properties of 3-[methyl(propan-2-yloxycarbonyl)amino]butanoic acid?
3-[methyl(propan-2-yloxycarbonyl)amino]butanoic acid has a molecular weight of 203.24 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yloxycarbonyl)amino]butanoic acid is sourced from PubChem (CID 175069072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).