3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid

C11H21NO4 — CID 15408230

IUPAC3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-8(2)12(7-6-9(13)14)10(15)16-11(3,4)5/h8H,6-7H2,1-5H3,(H,13,14)
InChIKeyKKIAMBQPKZBCIZ-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.11
Rot. Bonds4

About 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid

3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid (PubChem CID 15408230) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid
PubChem CID15408230
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-8(2)12(7-6-9(13)14)10(15)16-11(3,4)5/h8H,6-7H2,1-5H3,(H,13,14)
InChIKeyKKIAMBQPKZBCIZ-UHFFFAOYSA-N
XLogP2.11
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid (CID 15408230) is 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid?
The InChIKey is KKIAMBQPKZBCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(2)12(7-6-9(13)14)10(15)16-11(3,4)5/h8H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid?
3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid has a molecular weight of 231.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 15408230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).