2-[2-butoxypropanoyl(2-methylpropyl)amino]acetic acid

C13H25NO4 — CID 119193010

IUPAC2-[2-butoxypropanoyl(2-methylpropyl)amino]acetic acid
SMILESCCCCOC(C)C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C13H25NO4/c1-5-6-7-18-11(4)13(17)14(8-10(2)3)9-12(15)16/h10-11H,5-9H2,1-4H3,(H,15,16)
InChIKeyCYYDESUXUQQVDP-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.76
Rot. Bonds9

About 2-[2-butoxypropanoyl(2-methylpropyl)amino]acetic acid

2-[2-butoxypropanoyl(2-methylpropyl)amino]acetic acid (PubChem CID 119193010) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[2-butoxypropanoyl(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-butoxypropanoyl(2-methylpropyl)amino]acetic acid
PubChem CID119193010
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-[2-butoxypropanoyl(2-methylpropyl)amino]acetic acid
SMILESCCCCOC(C)C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C13H25NO4/c1-5-6-7-18-11(4)13(17)14(8-10(2)3)9-12(15)16/h10-11H,5-9H2,1-4H3,(H,15,16)
InChIKeyCYYDESUXUQQVDP-UHFFFAOYSA-N
XLogP1.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-butoxypropanoyl(2-methylpropyl)amino]acetic 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-[2-methylpropyl(octanoyl)amino]acetic acid
CID 62032998
(2S)-2-butoxy-N-methoxy-N-methylpropanamide
CID 172508606
2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid
CID 119193017
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63066155
(2S)-2-heptoxypropanoic acid
CID 22301798
2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
CID 62033717
sodium 2-butoxypropanoate
CID 141029680
2-[(2-methyl-3-methylsulfanylpropanoyl)-(2-methylpropyl)amino]acetic acid
CID 115730558
2-[2-methylpropyl(2-methylsulfonylpropanoyl)amino]acetic acid
CID 115730555
1,1,3,3-tetrabutoxypropan-2-one
CID 546234
2-[2-(3-chlorophenoxy)propanoyl-(2-methylpropyl)amino]acetic acid
CID 62034436
3-pentoxybutan-2-one
CID 43801294

Frequently Asked Questions

What is the IUPAC name of 2-[2-butoxypropanoyl(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[2-butoxypropanoyl(2-methylpropyl)amino]acetic acid (CID 119193010) is 2-[2-butoxypropanoyl(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[2-butoxypropanoyl(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[2-butoxypropanoyl(2-methylpropyl)amino]acetic acid is CCCCOC(C)C(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[2-butoxypropanoyl(2-methylpropyl)amino]acetic acid?
The InChIKey is CYYDESUXUQQVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-5-6-7-18-11(4)13(17)14(8-10(2)3)9-12(15)16/h10-11H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 2-[2-butoxypropanoyl(2-methylpropyl)amino]acetic acid?
2-[2-butoxypropanoyl(2-methylpropyl)amino]acetic acid has a molecular weight of 259.35 g/mol, XLogP of 1.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-butoxypropanoyl(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 119193010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).