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

C13H26N2O3 — CID 113363878

IUPAC2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid
SMILESCCC(CC)CNC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C13H26N2O3/c1-5-11(6-2)7-14-13(18)15(8-10(3)4)9-12(16)17/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyZMLAEEMWEHVAES-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.17
Rot. Bonds8

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

2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid (PubChem CID 113363878) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid
PubChem CID113363878
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid
SMILESCCC(CC)CNC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C13H26N2O3/c1-5-11(6-2)7-14-13(18)15(8-10(3)4)9-12(16)17/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyZMLAEEMWEHVAES-UHFFFAOYSA-N
XLogP2.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,2-dimethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 103463265
3-[[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]methyl]pentanoic acid
CID 81070027
2-[[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]methyl]butanoic acid
CID 65222571
2-[2-ethylhexylcarbamoyl(propyl)amino]acetic acid
CID 114004349
2-[2-methylpropyl-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]amino]acetic acid
CID 63066698
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid
CID 81069914
2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 103995670
2-[2-(3-methylbutoxy)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066342
2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184764
3-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62670819
2-[2-methylpropyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid
CID 113327921
2-[furan-3-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 103997753

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid (CID 113363878) is 2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid is CCC(CC)CNC(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid?
The InChIKey is ZMLAEEMWEHVAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-11(6-2)7-14-13(18)15(8-10(3)4)9-12(16)17/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid?
2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid has a molecular weight of 258.36 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 113363878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).