3-[cyclopropyl(dodecyl)amino]propanoic acid

C18H35NO2 — CID 62065004

IUPAC3-[cyclopropyl(dodecyl)amino]propanoic acid
SMILESCCCCCCCCCCCCN(CCC(=O)O)C1CC1
InChIInChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-15-19(17-12-13-17)16-14-18(20)21/h17H,2-16H2,1H3,(H,20,21)
InChIKeyQQVYEGMRCIIULH-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.85
Rot. Bonds15

About 3-[cyclopropyl(dodecyl)amino]propanoic acid

3-[cyclopropyl(dodecyl)amino]propanoic acid (PubChem CID 62065004) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 3-[cyclopropyl(dodecyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(dodecyl)amino]propanoic acid
PubChem CID62065004
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name3-[cyclopropyl(dodecyl)amino]propanoic acid
SMILESCCCCCCCCCCCCN(CCC(=O)O)C1CC1
InChIInChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-15-19(17-12-13-17)16-14-18(20)21/h17H,2-16H2,1H3,(H,20,21)
InChIKeyQQVYEGMRCIIULH-UHFFFAOYSA-N
XLogP4.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[cycloheptyl(heptyl)amino]propanoic acid
CID 82328773
3-[cyclopropyl(4-methylsulfanylbutyl)amino]propanoic acid
CID 103090410
2-[cyclopentyl(nonyl)amino]acetic acid
CID 60835084
3-[cyclopropyl(hexanoyl)amino]propanoic acid
CID 60843685
3-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid
CID 61198345
N-dodecyl-8-[[8-[dodecyl(octyl)amino]-8-oxooctyl]-(4-hydroxycyclohexyl)amino]-N-octyloctanamide
CID 172581108
4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid
CID 82330575
3-[cyclopropyl(2-ethoxyethyl)amino]propanoic acid
CID 60838703
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756
3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330378

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(dodecyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(dodecyl)amino]propanoic acid (CID 62065004) is 3-[cyclopropyl(dodecyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(dodecyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(dodecyl)amino]propanoic acid is CCCCCCCCCCCCN(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl(dodecyl)amino]propanoic acid?
The InChIKey is QQVYEGMRCIIULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-15-19(17-12-13-17)16-14-18(20)21/h17H,2-16H2,1H3,(H,20,21).
What are the key properties of 3-[cyclopropyl(dodecyl)amino]propanoic acid?
3-[cyclopropyl(dodecyl)amino]propanoic acid has a molecular weight of 297.48 g/mol, XLogP of 4.85, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(dodecyl)amino]propanoic acid is sourced from PubChem (CID 62065004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).