3-[tert-butyl(ethoxycarbonyl)amino]hexanoic acid

C13H25NO4 — CID 175072622

IUPAC3-[tert-butyl(ethoxycarbonyl)amino]hexanoic acid
SMILESCCCC(CC(=O)O)N(C(=O)OCC)C(C)(C)C
InChIInChI=1S/C13H25NO4/c1-6-8-10(9-11(15)16)14(13(3,4)5)12(17)18-7-2/h10H,6-9H2,1-5H3,(H,15,16)
InChIKeyDMORMWCVHOUBSU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.89
Rot. Bonds6

About 3-[tert-butyl(ethoxycarbonyl)amino]hexanoic acid

3-[tert-butyl(ethoxycarbonyl)amino]hexanoic acid (PubChem CID 175072622) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[tert-butyl(ethoxycarbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(ethoxycarbonyl)amino]hexanoic acid
PubChem CID175072622
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name3-[tert-butyl(ethoxycarbonyl)amino]hexanoic acid
SMILESCCCC(CC(=O)O)N(C(=O)OCC)C(C)(C)C
InChIInChI=1S/C13H25NO4/c1-6-8-10(9-11(15)16)14(13(3,4)5)12(17)18-7-2/h10H,6-9H2,1-5H3,(H,15,16)
InChIKeyDMORMWCVHOUBSU-UHFFFAOYSA-N
XLogP2.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[tert-butyl(ethoxycarbonyl)amino]hexanoic 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

ethyl 3-[tert-butyl(ethoxycarbonyl)amino]pentanoate
CID 134521117
3-(dimethylamino)hexanoic acid
CID 64527574
3-[ethoxycarbonyl(methyl)amino]butanoic acid
CID 175076556
3-iodohexanoic acid
CID 18000330
ethane;4-ethoxy-3-methyl-4-oxobutanoic acid
CID 122506118
6-ethoxy-3,4-bis(ethoxycarbonyl)-6-oxohexanoic acid
CID 18705246
3-chloro-4-ethoxy-4-oxobutanoic acid
CID 23366083
3-(didecylamino)hexanoic acid
CID 101314409
3-[di(tricosyl)amino]hexanoic acid
CID 101314733
4,4,4-trichloro-3-ethoxycarbonylbutanoic acid
CID 174430485
2-[ethoxycarbonyl(propan-2-yl)amino]-2-ethyl-3-methylbutanoic acid
CID 175198157
2-[tert-butyl-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid
CID 79257258

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(ethoxycarbonyl)amino]hexanoic acid?
The IUPAC name of 3-[tert-butyl(ethoxycarbonyl)amino]hexanoic acid (CID 175072622) is 3-[tert-butyl(ethoxycarbonyl)amino]hexanoic acid.
What is the SMILES notation for 3-[tert-butyl(ethoxycarbonyl)amino]hexanoic acid?
The canonical SMILES for 3-[tert-butyl(ethoxycarbonyl)amino]hexanoic acid is CCCC(CC(=O)O)N(C(=O)OCC)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(ethoxycarbonyl)amino]hexanoic acid?
The InChIKey is DMORMWCVHOUBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-6-8-10(9-11(15)16)14(13(3,4)5)12(17)18-7-2/h10H,6-9H2,1-5H3,(H,15,16).
What are the key properties of 3-[tert-butyl(ethoxycarbonyl)amino]hexanoic acid?
3-[tert-butyl(ethoxycarbonyl)amino]hexanoic acid has a molecular weight of 259.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(ethoxycarbonyl)amino]hexanoic acid is sourced from PubChem (CID 175072622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).