2-[di(pentadecyl)amino]acetic acid

C32H65NO2 — CID 101313622

IUPAC2-[di(pentadecyl)amino]acetic acid
SMILESCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCC)CC(=O)O
InChIInChI=1S/C32H65NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(31-32(34)35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3,(H,34,35)
InChIKeyWGZQHJPRDKEPCB-UHFFFAOYSA-N
MW495.88 g/mol
LogP10.56
Rot. Bonds30

About 2-[di(pentadecyl)amino]acetic acid

2-[di(pentadecyl)amino]acetic acid (PubChem CID 101313622) has the molecular formula C32H65NO2 and a molecular weight of 495.88 g/mol. Its IUPAC name is 2-[di(pentadecyl)amino]acetic acid.

Molecular Properties

Compound Name2-[di(pentadecyl)amino]acetic acid
PubChem CID101313622
Molecular FormulaC32H65NO2
Molecular Weight495.88 g/mol
Exact Mass495.50
IUPAC Name2-[di(pentadecyl)amino]acetic acid
SMILESCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCC)CC(=O)O
InChIInChI=1S/C32H65NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(31-32(34)35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3,(H,34,35)
InChIKeyWGZQHJPRDKEPCB-UHFFFAOYSA-N
XLogP10.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.88
LogP ≤ 510.56
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

2-[propyl(undecyl)amino]acetic acid
CID 146831092
2-[carboxymethyl(hexyl)amino]acetic acid
CID 23422372
2-[5-hydroxypentyl(propyl)amino]acetic acid
CID 62228100
2-[octyl(prop-2-ynyl)amino]acetic acid
CID 79283704
2-[decyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266101
acetic acid;N,N-didodecyldodecan-1-amine
CID 173289762
2-[2-hydroxyethyl(4-oxopentadecyl)amino]acetic acid
CID 58572256
carbonic acid;N,N-dipentylpentan-1-amine
CID 157318586
3-(dioctadecylamino)propanoic acid
CID 101313756
6-[di(tridecyl)amino]hexanoic acid
CID 101314498
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
2-[hexyl(methyl)amino]acetic acid
CID 10197909

Frequently Asked Questions

What is the IUPAC name of 2-[di(pentadecyl)amino]acetic acid?
The IUPAC name of 2-[di(pentadecyl)amino]acetic acid (CID 101313622) is 2-[di(pentadecyl)amino]acetic acid.
What is the SMILES notation for 2-[di(pentadecyl)amino]acetic acid?
The canonical SMILES for 2-[di(pentadecyl)amino]acetic acid is CCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCC)CC(=O)O.
What is the InChIKey of 2-[di(pentadecyl)amino]acetic acid?
The InChIKey is WGZQHJPRDKEPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H65NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(31-32(34)35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3,(H,34,35).
What are the key properties of 2-[di(pentadecyl)amino]acetic acid?
2-[di(pentadecyl)amino]acetic acid has a molecular weight of 495.88 g/mol, XLogP of 10.56, 30 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(pentadecyl)amino]acetic acid is sourced from PubChem (CID 101313622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).