4-[[butyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid

C14H28N2O4 — CID 61447544

IUPAC4-[[butyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid
SMILESCCCCN(CCO)C(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C14H28N2O4/c1-4-5-8-15(10-11-17)14(20)16(12(2)3)9-6-7-13(18)19/h12,17H,4-11H2,1-3H3,(H,18,19)
InChIKeyDOKPHFQJIRNHCT-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.78
Rot. Bonds10

About 4-[[butyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid

4-[[butyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid (PubChem CID 61447544) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-[[butyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[[butyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid
PubChem CID61447544
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-[[butyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid
SMILESCCCCN(CCO)C(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C14H28N2O4/c1-4-5-8-15(10-11-17)14(20)16(12(2)3)9-6-7-13(18)19/h12,17H,4-11H2,1-3H3,(H,18,19)
InChIKeyDOKPHFQJIRNHCT-UHFFFAOYSA-N
XLogP1.78
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 61196397
4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61195639
4-[[ethyl(2-methylpropyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61197198
3-[[butyl(2-hydroxyethyl)carbamoyl]-ethylamino]propanoic acid
CID 61447698
4-[[cyclopropyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 54995027
3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 54994879
3-[[butyl(2-hydroxyethyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 61447426
2-[butan-2-yl(dibutylcarbamoyl)amino]acetic acid
CID 61184658
butyl(propan-2-yl)carbamic acid
CID 87287717
4-[octyl(propan-2-yl)amino]butanoic acid
CID 60833622
5-[hexadecyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 4249271
5-[dodecyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 3327621

Frequently Asked Questions

What is the IUPAC name of 4-[[butyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[[butyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid (CID 61447544) is 4-[[butyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[[butyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[[butyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid is CCCCN(CCO)C(=O)N(CCCC(=O)O)C(C)C.
What is the InChIKey of 4-[[butyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid?
The InChIKey is DOKPHFQJIRNHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-4-5-8-15(10-11-17)14(20)16(12(2)3)9-6-7-13(18)19/h12,17H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 4-[[butyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid?
4-[[butyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid has a molecular weight of 288.39 g/mol, XLogP of 1.78, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 61447544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).