3-[[butyl(2-hydroxyethyl)carbamoyl]-ethylamino]propanoic acid

C12H24N2O4 — CID 61447698

IUPAC3-[[butyl(2-hydroxyethyl)carbamoyl]-ethylamino]propanoic acid
SMILESCCCCN(CCO)C(=O)N(CC)CCC(=O)O
InChIInChI=1S/C12H24N2O4/c1-3-5-7-14(9-10-15)12(18)13(4-2)8-6-11(16)17/h15H,3-10H2,1-2H3,(H,16,17)
InChIKeyZJWNPNSLOBDNKD-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.00
Rot. Bonds9

About 3-[[butyl(2-hydroxyethyl)carbamoyl]-ethylamino]propanoic acid

3-[[butyl(2-hydroxyethyl)carbamoyl]-ethylamino]propanoic acid (PubChem CID 61447698) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 3-[[butyl(2-hydroxyethyl)carbamoyl]-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[[butyl(2-hydroxyethyl)carbamoyl]-ethylamino]propanoic acid
PubChem CID61447698
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name3-[[butyl(2-hydroxyethyl)carbamoyl]-ethylamino]propanoic acid
SMILESCCCCN(CCO)C(=O)N(CC)CCC(=O)O
InChIInChI=1S/C12H24N2O4/c1-3-5-7-14(9-10-15)12(18)13(4-2)8-6-11(16)17/h15H,3-10H2,1-2H3,(H,16,17)
InChIKeyZJWNPNSLOBDNKD-UHFFFAOYSA-N
XLogP1.00
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[butyl(2-hydroxyethyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 61447426
2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid
CID 55247073
4-[[butyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61447544
3-[decanoyl(2-hydroxyethyl)amino]propanoic acid
CID 132595707
2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
CID 61208217
3-[[butyl(ethyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 61185694
sodium;3-[dodecanoyl(2-hydroxyethyl)amino]propanoic acid;hydride
CID 174049778
6-[[butyl(2-hydroxyethyl)carbamoyl]amino]hexanoic acid
CID 61447424
2-[[butyl(2-hydroxyethyl)carbamoyl]-(cyclopropylmethyl)amino]acetic acid
CID 61447331
N-butyl-N-ethylpentanamide
CID 4629847
3-[4-(diethylamino)butyl-pentanoylamino]propanoic acid
CID 82323531
5-[dodecyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 3327621

Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(2-hydroxyethyl)carbamoyl]-ethylamino]propanoic acid?
The IUPAC name of 3-[[butyl(2-hydroxyethyl)carbamoyl]-ethylamino]propanoic acid (CID 61447698) is 3-[[butyl(2-hydroxyethyl)carbamoyl]-ethylamino]propanoic acid.
What is the SMILES notation for 3-[[butyl(2-hydroxyethyl)carbamoyl]-ethylamino]propanoic acid?
The canonical SMILES for 3-[[butyl(2-hydroxyethyl)carbamoyl]-ethylamino]propanoic acid is CCCCN(CCO)C(=O)N(CC)CCC(=O)O.
What is the InChIKey of 3-[[butyl(2-hydroxyethyl)carbamoyl]-ethylamino]propanoic acid?
The InChIKey is ZJWNPNSLOBDNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-3-5-7-14(9-10-15)12(18)13(4-2)8-6-11(16)17/h15H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 3-[[butyl(2-hydroxyethyl)carbamoyl]-ethylamino]propanoic acid?
3-[[butyl(2-hydroxyethyl)carbamoyl]-ethylamino]propanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl(2-hydroxyethyl)carbamoyl]-ethylamino]propanoic acid is sourced from PubChem (CID 61447698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).