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

C13H24N2O4 — CID 61447426

IUPAC3-[[butyl(2-hydroxyethyl)carbamoyl]-cyclopropylamino]propanoic acid
SMILESCCCCN(CCO)C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C13H24N2O4/c1-2-3-7-14(9-10-16)13(19)15(11-4-5-11)8-6-12(17)18/h11,16H,2-10H2,1H3,(H,17,18)
InChIKeyCUUNIHJVRIPNQX-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.14
Rot. Bonds9

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

3-[[butyl(2-hydroxyethyl)carbamoyl]-cyclopropylamino]propanoic acid (PubChem CID 61447426) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[[butyl(2-hydroxyethyl)carbamoyl]-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name3-[[butyl(2-hydroxyethyl)carbamoyl]-cyclopropylamino]propanoic acid
PubChem CID61447426
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-[[butyl(2-hydroxyethyl)carbamoyl]-cyclopropylamino]propanoic acid
SMILESCCCCN(CCO)C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C13H24N2O4/c1-2-3-7-14(9-10-16)13(19)15(11-4-5-11)8-6-12(17)18/h11,16H,2-10H2,1H3,(H,17,18)
InChIKeyCUUNIHJVRIPNQX-UHFFFAOYSA-N
XLogP1.14
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[butyl(ethyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 61185694
3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid
CID 61186595
3-[[butyl(2-hydroxyethyl)carbamoyl]-ethylamino]propanoic acid
CID 61447698
2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
CID 54984147
3-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid
CID 61198345
2-[[butyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid
CID 54978335
2-[[butyl(2-hydroxyethyl)carbamoyl]-(cyclopropylmethyl)amino]acetic acid
CID 61447331
3-[cyclopropyl(hexanoyl)amino]propanoic acid
CID 60843685
3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid
CID 61196461
4-[[butyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61447544
3-[butyl(cyclopropanecarbonyl)amino]propanoic acid
CID 82323933
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836

Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(2-hydroxyethyl)carbamoyl]-cyclopropylamino]propanoic acid?
The IUPAC name of 3-[[butyl(2-hydroxyethyl)carbamoyl]-cyclopropylamino]propanoic acid (CID 61447426) is 3-[[butyl(2-hydroxyethyl)carbamoyl]-cyclopropylamino]propanoic acid.
What is the SMILES notation for 3-[[butyl(2-hydroxyethyl)carbamoyl]-cyclopropylamino]propanoic acid?
The canonical SMILES for 3-[[butyl(2-hydroxyethyl)carbamoyl]-cyclopropylamino]propanoic acid is CCCCN(CCO)C(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[[butyl(2-hydroxyethyl)carbamoyl]-cyclopropylamino]propanoic acid?
The InChIKey is CUUNIHJVRIPNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-2-3-7-14(9-10-16)13(19)15(11-4-5-11)8-6-12(17)18/h11,16H,2-10H2,1H3,(H,17,18).
What are the key properties of 3-[[butyl(2-hydroxyethyl)carbamoyl]-cyclopropylamino]propanoic acid?
3-[[butyl(2-hydroxyethyl)carbamoyl]-cyclopropylamino]propanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.14, 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]-cyclopropylamino]propanoic acid is sourced from PubChem (CID 61447426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).