2-[ethyl(pentadecanoyl)amino]acetic acid

C19H37NO3 — CID 139609701

IUPAC2-[ethyl(pentadecanoyl)amino]acetic acid
SMILESCCCCCCCCCCCCCCC(=O)N(CC)CC(=O)O
InChIInChI=1S/C19H37NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18(21)20(4-2)17-19(22)23/h3-17H2,1-2H3,(H,22,23)
InChIKeyDSTMRBVTXAVNSA-UHFFFAOYSA-N
MW327.51 g/mol
LogP5.01
Rot. Bonds16

About 2-[ethyl(pentadecanoyl)amino]acetic acid

2-[ethyl(pentadecanoyl)amino]acetic acid (PubChem CID 139609701) has the molecular formula C19H37NO3 and a molecular weight of 327.51 g/mol. Its IUPAC name is 2-[ethyl(pentadecanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(pentadecanoyl)amino]acetic acid
PubChem CID139609701
Molecular FormulaC19H37NO3
Molecular Weight327.51 g/mol
Exact Mass327.28
IUPAC Name2-[ethyl(pentadecanoyl)amino]acetic acid
SMILESCCCCCCCCCCCCCCC(=O)N(CC)CC(=O)O
InChIInChI=1S/C19H37NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18(21)20(4-2)17-19(22)23/h3-17H2,1-2H3,(H,22,23)
InChIKeyDSTMRBVTXAVNSA-UHFFFAOYSA-N
XLogP5.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.51
LogP ≤ 55.01
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-[ethyl(hexadecanoyl)amino]acetic acid
CID 86170642
2-[carboxymethyl(octadecanoyl)amino]acetic acid
CID 13060866
azane;2-[carboxymethyl(dodecanoyl)amino]acetic acid
CID 173442043
2-[hexadecyl(nonanoyl)amino]acetic acid
CID 138918698
2-[octadecanoyl(pentyl)amino]acetic acid
CID 175340865
2-[butyl(octadecanoyl)amino]acetic acid
CID 175340712
2-[propyl(tridecanoyl)amino]acetic acid
CID 139609682
2-[2-methylpropyl(octanoyl)amino]acetic acid
CID 62032998
12-(diethylamino)-12-oxododecanoic acid
CID 19794003
2-[dodecanoyl(prop-2-enyl)amino]acetic acid
CID 79264275
N,N-bis(hydroxymethyl)tetradecanamide
CID 54140383
2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid
CID 119206224

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(pentadecanoyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(pentadecanoyl)amino]acetic acid (CID 139609701) is 2-[ethyl(pentadecanoyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(pentadecanoyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(pentadecanoyl)amino]acetic acid is CCCCCCCCCCCCCCC(=O)N(CC)CC(=O)O.
What is the InChIKey of 2-[ethyl(pentadecanoyl)amino]acetic acid?
The InChIKey is DSTMRBVTXAVNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18(21)20(4-2)17-19(22)23/h3-17H2,1-2H3,(H,22,23).
What are the key properties of 2-[ethyl(pentadecanoyl)amino]acetic acid?
2-[ethyl(pentadecanoyl)amino]acetic acid has a molecular weight of 327.51 g/mol, XLogP of 5.01, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(pentadecanoyl)amino]acetic acid is sourced from PubChem (CID 139609701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).