2-[propyl(undecyl)amino]acetic acid

C16H33NO2 — CID 146831092

IUPAC2-[propyl(undecyl)amino]acetic acid
SMILESCCCCCCCCCCCN(CCC)CC(=O)O
InChIInChI=1S/C16H33NO2/c1-3-5-6-7-8-9-10-11-12-14-17(13-4-2)15-16(18)19/h3-15H2,1-2H3,(H,18,19)
InChIKeySEFLZEYUSFVREM-UHFFFAOYSA-N
MW271.44 g/mol
LogP4.31
Rot. Bonds14

About 2-[propyl(undecyl)amino]acetic acid

2-[propyl(undecyl)amino]acetic acid (PubChem CID 146831092) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 2-[propyl(undecyl)amino]acetic acid.

Molecular Properties

Compound Name2-[propyl(undecyl)amino]acetic acid
PubChem CID146831092
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name2-[propyl(undecyl)amino]acetic acid
SMILESCCCCCCCCCCCN(CCC)CC(=O)O
InChIInChI=1S/C16H33NO2/c1-3-5-6-7-8-9-10-11-12-14-17(13-4-2)15-16(18)19/h3-15H2,1-2H3,(H,18,19)
InChIKeySEFLZEYUSFVREM-UHFFFAOYSA-N
XLogP4.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 54.31
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-[di(pentadecyl)amino]acetic acid
CID 101313622
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-[2-(dipropylamino)ethyl-propylamino]acetic acid
CID 155392910
6-[carboxymethyl-[2-[2-[carboxymethyl(propyl)amino]ethyl-ethylamino]ethyl]amino]hexanoic acid
CID 162681486
2-[3-aminopropyl(propyl)amino]acetic acid
CID 63652854
2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid
CID 153111880
disodium bis(2-[dodecyl(propyl)amino]acetate)
CID 173116471
2-[decyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266101
3-[pentyl(propyl)amino]propanoic acid
CID 82328254
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754

Frequently Asked Questions

What is the IUPAC name of 2-[propyl(undecyl)amino]acetic acid?
The IUPAC name of 2-[propyl(undecyl)amino]acetic acid (CID 146831092) is 2-[propyl(undecyl)amino]acetic acid.
What is the SMILES notation for 2-[propyl(undecyl)amino]acetic acid?
The canonical SMILES for 2-[propyl(undecyl)amino]acetic acid is CCCCCCCCCCCN(CCC)CC(=O)O.
What is the InChIKey of 2-[propyl(undecyl)amino]acetic acid?
The InChIKey is SEFLZEYUSFVREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-3-5-6-7-8-9-10-11-12-14-17(13-4-2)15-16(18)19/h3-15H2,1-2H3,(H,18,19).
What are the key properties of 2-[propyl(undecyl)amino]acetic acid?
2-[propyl(undecyl)amino]acetic acid has a molecular weight of 271.44 g/mol, XLogP of 4.31, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(undecyl)amino]acetic acid is sourced from PubChem (CID 146831092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).