3-[2-methylpropoxycarbonyl(propan-2-yl)amino]propanoic acid

C11H21NO4 — CID 60828769

IUPAC3-[2-methylpropoxycarbonyl(propan-2-yl)amino]propanoic acid
SMILESCC(C)COC(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C11H21NO4/c1-8(2)7-16-11(15)12(9(3)4)6-5-10(13)14/h8-9H,5-7H2,1-4H3,(H,13,14)
InChIKeyMZPJRHPBQFUHEE-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.96
Rot. Bonds6

About 3-[2-methylpropoxycarbonyl(propan-2-yl)amino]propanoic acid

3-[2-methylpropoxycarbonyl(propan-2-yl)amino]propanoic acid (PubChem CID 60828769) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-[2-methylpropoxycarbonyl(propan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-methylpropoxycarbonyl(propan-2-yl)amino]propanoic acid
PubChem CID60828769
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name3-[2-methylpropoxycarbonyl(propan-2-yl)amino]propanoic acid
SMILESCC(C)COC(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C11H21NO4/c1-8(2)7-16-11(15)12(9(3)4)6-5-10(13)14/h8-9H,5-7H2,1-4H3,(H,13,14)
InChIKeyMZPJRHPBQFUHEE-UHFFFAOYSA-N
XLogP1.96
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-{[(Tert-butoxy)carbonyl](2-carboxyethyl)amino}propanoic acid
CID 15666718
3-(((Tert-butoxy)carbonyl)(propan-2-yl)amino)propanoic acid
CID 15408230
3-(((Tert-butoxy)carbonyl)(methyl)amino)-2-methylpropanoic acid
CID 19854541
3-((Tert-butoxycarbonyl)(3-oxopropyl)amino)propanoic acid
CID 164510767
Methyl N-(ethoxycarbonyl)-N-(3-methoxy-3-oxopropyl)-beta-alaninate
CID 44145861
3-[Propan-2-yl(2,2,2-trifluoroethoxycarbonyl)amino]propanoic acid
CID 61170207
3-[Tert-butyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoic acid
CID 61170209
3-[Ethyl(2,2,2-trifluoroethoxycarbonyl)amino]-2-methylpropanoic acid
CID 62827763
Methyl 3-[(ethoxycarbonyl)(propan-2-yl)amino]-2-methylpropanoate
CID 243301
3-{[(Tert-butoxy)carbonyl](cyclopropyl)amino}propanoic acid
CID 22397313
ethyl N-(tert-butoxycarbonyl)-3-(3-hydroxypropylamino)propionate
CID 22645249
3-[Ethoxycarbonyl(ethyl)amino]propanoic acid
CID 22758760

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropoxycarbonyl(propan-2-yl)amino]propanoic acid?
The IUPAC name of 3-[2-methylpropoxycarbonyl(propan-2-yl)amino]propanoic acid (CID 60828769) is 3-[2-methylpropoxycarbonyl(propan-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[2-methylpropoxycarbonyl(propan-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[2-methylpropoxycarbonyl(propan-2-yl)amino]propanoic acid is CC(C)COC(=O)N(CCC(=O)O)C(C)C.
What is the InChIKey of 3-[2-methylpropoxycarbonyl(propan-2-yl)amino]propanoic acid?
The InChIKey is MZPJRHPBQFUHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(2)7-16-11(15)12(9(3)4)6-5-10(13)14/h8-9H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 3-[2-methylpropoxycarbonyl(propan-2-yl)amino]propanoic acid?
3-[2-methylpropoxycarbonyl(propan-2-yl)amino]propanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropoxycarbonyl(propan-2-yl)amino]propanoic acid is sourced from PubChem (CID 60828769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).