2-ethyl-2-[2-methylpropyl(propan-2-yl)amino]butanoic acid

C13H27NO2 — CID 114996711

IUPAC2-ethyl-2-[2-methylpropyl(propan-2-yl)amino]butanoic acid
SMILESCCC(CC)(C(=O)O)N(CC(C)C)C(C)C
InChIInChI=1S/C13H27NO2/c1-7-13(8-2,12(15)16)14(11(5)6)9-10(3)4/h10-11H,7-9H2,1-6H3,(H,15,16)
InChIKeySUSWURFNVJTRFL-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.00
Rot. Bonds7

About 2-ethyl-2-[2-methylpropyl(propan-2-yl)amino]butanoic acid

2-ethyl-2-[2-methylpropyl(propan-2-yl)amino]butanoic acid (PubChem CID 114996711) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-ethyl-2-[2-methylpropyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[2-methylpropyl(propan-2-yl)amino]butanoic acid
PubChem CID114996711
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-ethyl-2-[2-methylpropyl(propan-2-yl)amino]butanoic acid
SMILESCCC(CC)(C(=O)O)N(CC(C)C)C(C)C
InChIInChI=1S/C13H27NO2/c1-7-13(8-2,12(15)16)14(11(5)6)9-10(3)4/h10-11H,7-9H2,1-6H3,(H,15,16)
InChIKeySUSWURFNVJTRFL-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-2-[2-methylpropyl(propan-2-yl)amino]butanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-ethyl-2-[methyl(4-methylpentan-2-yl)amino]butanoic acid
CID 114996709
2-ethyl-2-[ethyl(methyl)amino]-4-methylhexanoic acid
CID 114989090
2-methyl-2-(3-methylbutylsulfonyl)propanoic acid
CID 59253211
2-ethyl-2-[[[2-methylpropyl(propan-2-yl)carbamoyl]amino]methyl]butanoic acid
CID 115431036
2,2-diethyl-4-[ethyl(2-methylpropyl)amino]-4-oxobutanoic acid
CID 43437635
2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 79800950
2-[cyclopropylmethyl(methyl)amino]-2-ethyl-4-methylhexanoic acid
CID 114991466
2-methyl-2-[methyl-[methyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 62821986
4-ethyl-2-methyl-4-[methyl(propan-2-yl)amino]hexan-3-one
CID 161192444
2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 89048903
2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanoic acid
CID 107871178
2-[ethyl(formyl)amino]-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 114868211

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[2-methylpropyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[2-methylpropyl(propan-2-yl)amino]butanoic acid (CID 114996711) is 2-ethyl-2-[2-methylpropyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[2-methylpropyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[2-methylpropyl(propan-2-yl)amino]butanoic acid is CCC(CC)(C(=O)O)N(CC(C)C)C(C)C.
What is the InChIKey of 2-ethyl-2-[2-methylpropyl(propan-2-yl)amino]butanoic acid?
The InChIKey is SUSWURFNVJTRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-7-13(8-2,12(15)16)14(11(5)6)9-10(3)4/h10-11H,7-9H2,1-6H3,(H,15,16).
What are the key properties of 2-ethyl-2-[2-methylpropyl(propan-2-yl)amino]butanoic acid?
2-ethyl-2-[2-methylpropyl(propan-2-yl)amino]butanoic acid has a molecular weight of 229.36 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[2-methylpropyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 114996711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).