2-[propyl-[(2S)-1-tetradecanoylpyrrolidine-2-carbonyl]amino]acetic acid

C24H44N2O4 — CID 18664721

IUPAC2-[propyl-[(2S)-1-tetradecanoylpyrrolidine-2-carbonyl]amino]acetic acid
SMILESCCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)N(CCC)CC(=O)O
InChIInChI=1S/C24H44N2O4/c1-3-5-6-7-8-9-10-11-12-13-14-17-22(27)26-19-15-16-21(26)24(30)25(18-4-2)20-23(28)29/h21H,3-20H2,1-2H3,(H,28,29)/t21-/m0/s1
InChIKeyDRSAVDUOZHSBLI-NRFANRHFSA-N
MW424.63 g/mol
LogP5.00
Rot. Bonds17

About 2-[propyl-[(2S)-1-tetradecanoylpyrrolidine-2-carbonyl]amino]acetic acid

2-[propyl-[(2S)-1-tetradecanoylpyrrolidine-2-carbonyl]amino]acetic acid (PubChem CID 18664721) has the molecular formula C24H44N2O4 and a molecular weight of 424.63 g/mol. Its IUPAC name is 2-[propyl-[(2S)-1-tetradecanoylpyrrolidine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propyl-[(2S)-1-tetradecanoylpyrrolidine-2-carbonyl]amino]acetic acid
PubChem CID18664721
Molecular FormulaC24H44N2O4
Molecular Weight424.63 g/mol
Exact Mass424.33
IUPAC Name2-[propyl-[(2S)-1-tetradecanoylpyrrolidine-2-carbonyl]amino]acetic acid
SMILESCCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)N(CCC)CC(=O)O
InChIInChI=1S/C24H44N2O4/c1-3-5-6-7-8-9-10-11-12-13-14-17-22(27)26-19-15-16-21(26)24(30)25(18-4-2)20-23(28)29/h21H,3-20H2,1-2H3,(H,28,29)/t21-/m0/s1
InChIKeyDRSAVDUOZHSBLI-NRFANRHFSA-N
XLogP5.00
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-nonanoylpyrrolidine-2-carboxylic acid
CID 69287146
CID 160598111
CID 160598111
(2R)-1-nonanoylpiperidine-2-carboxylic acid
CID 69288124
1-[1-(1-dodecanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 78064271
potassium (2S)-1-tetradecanoylpyrrolidine-2-carboxylate
CID 177344572
1-decanoylazepane-2-carboxylic acid
CID 64558604
methyl (2S)-1-hexadecanoylpyrrolidine-2-carboxylate
CID 129080008
(2S)-1-[(Z)-octadec-9-enoyl]pyrrolidine-2-carboxylic acid
CID 52922068
(2S)-1-octadec-9-enoylpyrrolidine-2-carboxylic acid
CID 54443907
1-(4-aminobutanoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 119305882
(2S)-1-(14-deuteriotetradecanoyl)pyrrolidine-2-carboxylic acid
CID 139795188
(2S)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]pyrrolidine-2-carboxylic acid
CID 71587491

Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[(2S)-1-tetradecanoylpyrrolidine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[propyl-[(2S)-1-tetradecanoylpyrrolidine-2-carbonyl]amino]acetic acid (CID 18664721) is 2-[propyl-[(2S)-1-tetradecanoylpyrrolidine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[propyl-[(2S)-1-tetradecanoylpyrrolidine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[propyl-[(2S)-1-tetradecanoylpyrrolidine-2-carbonyl]amino]acetic acid is CCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)N(CCC)CC(=O)O.
What is the InChIKey of 2-[propyl-[(2S)-1-tetradecanoylpyrrolidine-2-carbonyl]amino]acetic acid?
The InChIKey is DRSAVDUOZHSBLI-NRFANRHFSA-N. The full InChI is InChI=1S/C24H44N2O4/c1-3-5-6-7-8-9-10-11-12-13-14-17-22(27)26-19-15-16-21(26)24(30)25(18-4-2)20-23(28)29/h21H,3-20H2,1-2H3,(H,28,29)/t21-/m0/s1.
What are the key properties of 2-[propyl-[(2S)-1-tetradecanoylpyrrolidine-2-carbonyl]amino]acetic acid?
2-[propyl-[(2S)-1-tetradecanoylpyrrolidine-2-carbonyl]amino]acetic acid has a molecular weight of 424.63 g/mol, XLogP of 5.00, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[(2S)-1-tetradecanoylpyrrolidine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 18664721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).