4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid

C13H26N2O3 — CID 61195639

IUPAC4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid
SMILESCCN(C(=O)N(CCCC(=O)O)C(C)C)C(C)C
InChIInChI=1S/C13H26N2O3/c1-6-14(10(2)3)13(18)15(11(4)5)9-7-8-12(16)17/h10-11H,6-9H2,1-5H3,(H,16,17)
InChIKeyOGHAJYFTUULBGO-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.41
Rot. Bonds7

About 4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid

4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid (PubChem CID 61195639) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid
PubChem CID61195639
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid
SMILESCCN(C(=O)N(CCCC(=O)O)C(C)C)C(C)C
InChIInChI=1S/C13H26N2O3/c1-6-14(10(2)3)13(18)15(11(4)5)9-7-8-12(16)17/h10-11H,6-9H2,1-5H3,(H,16,17)
InChIKeyOGHAJYFTUULBGO-UHFFFAOYSA-N
XLogP2.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 61196397
4-[[ethyl(2-methylpropyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61197198
4-[ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
4-[[butyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61447544
4-[2,2-dimethylbutanoyl(propan-2-yl)amino]butanoic acid
CID 62679528
4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61186680
4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61428193
4-[[cyclopropyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 54995027
4-[3-ethoxypropanoyl(propan-2-yl)amino]butanoic acid
CID 55091738
4-[[(4-hydroxyphenyl)-methylcarbamoyl]-propan-2-ylamino]butanoic acid
CID 107737053
4-[3-aminobutanoyl(propan-2-yl)amino]butanoic acid
CID 61160723
4-[pentan-2-ylcarbamoyl(propan-2-yl)amino]butanoic acid
CID 61181352

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid (CID 61195639) is 4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid is CCN(C(=O)N(CCCC(=O)O)C(C)C)C(C)C.
What is the InChIKey of 4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid?
The InChIKey is OGHAJYFTUULBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-6-14(10(2)3)13(18)15(11(4)5)9-7-8-12(16)17/h10-11H,6-9H2,1-5H3,(H,16,17).
What are the key properties of 4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid?
4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid has a molecular weight of 258.36 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 61195639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).