3-[dibutylcarbamoyl(ethyl)amino]-2-methylpropanoic acid

C15H30N2O3 — CID 62853369

IUPAC3-[dibutylcarbamoyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCCCN(CCCC)C(=O)N(CC)CC(C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-5-8-10-17(11-9-6-2)15(20)16(7-3)12-13(4)14(18)19/h13H,5-12H2,1-4H3,(H,18,19)
InChIKeySEDVZTZXBQLNIF-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.05
Rot. Bonds10

About 3-[dibutylcarbamoyl(ethyl)amino]-2-methylpropanoic acid

3-[dibutylcarbamoyl(ethyl)amino]-2-methylpropanoic acid (PubChem CID 62853369) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[dibutylcarbamoyl(ethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[dibutylcarbamoyl(ethyl)amino]-2-methylpropanoic acid
PubChem CID62853369
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name3-[dibutylcarbamoyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCCCN(CCCC)C(=O)N(CC)CC(C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-5-8-10-17(11-9-6-2)15(20)16(7-3)12-13(4)14(18)19/h13H,5-12H2,1-4H3,(H,18,19)
InChIKeySEDVZTZXBQLNIF-UHFFFAOYSA-N
XLogP3.05
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[butyl(propanoyl)amino]-2-methylpropanoic acid
CID 82323303
3-[ethyl-[propan-2-yl(propyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853557
3-[ethyl-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62853214
3-[ethyl-[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853195
3-[[butan-2-yl(methyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62853736
3-[2-ethylbutanoyl(pentyl)amino]-2-methylpropanoic acid
CID 82323896
3-[butanoyl-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid
CID 82323456
4-[[butyl(ethyl)carbamoyl]amino]-2-methylbutanoic acid
CID 80540676
2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid
CID 55247073
3-[ethyl-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 62853396
3-[heptyl(hexyl)amino]-2-methylpropanoic acid
CID 82328811
3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid
CID 62852267

Frequently Asked Questions

What is the IUPAC name of 3-[dibutylcarbamoyl(ethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[dibutylcarbamoyl(ethyl)amino]-2-methylpropanoic acid (CID 62853369) is 3-[dibutylcarbamoyl(ethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[dibutylcarbamoyl(ethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[dibutylcarbamoyl(ethyl)amino]-2-methylpropanoic acid is CCCCN(CCCC)C(=O)N(CC)CC(C)C(=O)O.
What is the InChIKey of 3-[dibutylcarbamoyl(ethyl)amino]-2-methylpropanoic acid?
The InChIKey is SEDVZTZXBQLNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-8-10-17(11-9-6-2)15(20)16(7-3)12-13(4)14(18)19/h13H,5-12H2,1-4H3,(H,18,19).
What are the key properties of 3-[dibutylcarbamoyl(ethyl)amino]-2-methylpropanoic acid?
3-[dibutylcarbamoyl(ethyl)amino]-2-methylpropanoic acid has a molecular weight of 286.42 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dibutylcarbamoyl(ethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62853369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).