2-[propyl(tridecanoyl)amino]acetic acid

C18H35NO3 — CID 139609682

IUPAC2-[propyl(tridecanoyl)amino]acetic acid
SMILESCCCCCCCCCCCCC(=O)N(CCC)CC(=O)O
InChIInChI=1S/C18H35NO3/c1-3-5-6-7-8-9-10-11-12-13-14-17(20)19(15-4-2)16-18(21)22/h3-16H2,1-2H3,(H,21,22)
InChIKeyOIJCOCSMZQESNM-UHFFFAOYSA-N
MW313.48 g/mol
LogP4.62
Rot. Bonds15

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

2-[propyl(tridecanoyl)amino]acetic acid (PubChem CID 139609682) has the molecular formula C18H35NO3 and a molecular weight of 313.48 g/mol. Its IUPAC name is 2-[propyl(tridecanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[propyl(tridecanoyl)amino]acetic acid
PubChem CID139609682
Molecular FormulaC18H35NO3
Molecular Weight313.48 g/mol
Exact Mass313.26
IUPAC Name2-[propyl(tridecanoyl)amino]acetic acid
SMILESCCCCCCCCCCCCC(=O)N(CCC)CC(=O)O
InChIInChI=1S/C18H35NO3/c1-3-5-6-7-8-9-10-11-12-13-14-17(20)19(15-4-2)16-18(21)22/h3-16H2,1-2H3,(H,21,22)
InChIKeyOIJCOCSMZQESNM-UHFFFAOYSA-N
XLogP4.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 54.62
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-[octadecanoyl(pentyl)amino]acetic acid
CID 175340865
2-[butyl(octadecanoyl)amino]acetic acid
CID 175340712
2-[hexadecyl(nonanoyl)amino]acetic acid
CID 138918698
2-[carboxymethyl(octadecanoyl)amino]acetic acid
CID 13060866
azane;2-[carboxymethyl(dodecanoyl)amino]acetic acid
CID 173442043
2-[ethyl(pentadecanoyl)amino]acetic acid
CID 139609701
2-[ethyl(hexadecanoyl)amino]acetic acid
CID 86170642
N,N-dipropylnonadecanamide
CID 12960009
2-[5-fluorodecanoyl(propyl)amino]acetic acid
CID 101279878
2-[6-fluorodecanoyl(propyl)amino]acetic acid
CID 101279880
3-[decanoyl(2-oxoundecyl)amino]propanoic acid
CID 139936744
2-[2-methylpropyl(octanoyl)amino]acetic acid
CID 62032998

Frequently Asked Questions

What is the IUPAC name of 2-[propyl(tridecanoyl)amino]acetic acid?
The IUPAC name of 2-[propyl(tridecanoyl)amino]acetic acid (CID 139609682) is 2-[propyl(tridecanoyl)amino]acetic acid.
What is the SMILES notation for 2-[propyl(tridecanoyl)amino]acetic acid?
The canonical SMILES for 2-[propyl(tridecanoyl)amino]acetic acid is CCCCCCCCCCCCC(=O)N(CCC)CC(=O)O.
What is the InChIKey of 2-[propyl(tridecanoyl)amino]acetic acid?
The InChIKey is OIJCOCSMZQESNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO3/c1-3-5-6-7-8-9-10-11-12-13-14-17(20)19(15-4-2)16-18(21)22/h3-16H2,1-2H3,(H,21,22).
What are the key properties of 2-[propyl(tridecanoyl)amino]acetic acid?
2-[propyl(tridecanoyl)amino]acetic acid has a molecular weight of 313.48 g/mol, XLogP of 4.62, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(tridecanoyl)amino]acetic acid is sourced from PubChem (CID 139609682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).