(2S)-2-(tetradecanoylamino)pentanedioic acid

C19H35NO5 — CID 18634845

IUPAC(2S)-2-(tetradecanoylamino)pentanedioic acid
SMILESCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C19H35NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16(19(24)25)14-15-18(22)23/h16H,2-15H2,1H3,(H,20,21)(H,22,23)(H,24,25)/t16-/m0/s1
InChIKeyMTJZWYHTZFVEGI-INIZCTEOSA-N
MW357.49 g/mol
LogP4.12
Rot. Bonds17

About (2S)-2-(tetradecanoylamino)pentanedioic acid

(2S)-2-(tetradecanoylamino)pentanedioic acid (PubChem CID 18634845) has the molecular formula C19H35NO5 and a molecular weight of 357.49 g/mol. Its IUPAC name is (2S)-2-(tetradecanoylamino)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-(tetradecanoylamino)pentanedioic acid
PubChem CID18634845
Molecular FormulaC19H35NO5
Molecular Weight357.49 g/mol
Exact Mass357.25
IUPAC Name(2S)-2-(tetradecanoylamino)pentanedioic acid
SMILESCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C19H35NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16(19(24)25)14-15-18(22)23/h16H,2-15H2,1H3,(H,20,21)(H,22,23)(H,24,25)/t16-/m0/s1
InChIKeyMTJZWYHTZFVEGI-INIZCTEOSA-N
XLogP4.12
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dodecanoylamino)pentanedioic acid;bis(hexane)
CID 175093348
(2R)-2-(undecanoylamino)pentanedioic acid
CID 11472521
N-Myristoyl-L-glutamic acid sodium salt
CID 87532244
potassium (2R)-2-(dodecanoylamino)pentanedioic acid
CID 10270407
alumane;(2S)-2-(dodecanoylamino)pentanedioic acid
CID 173075186
azane;(2S)-2-(dodecanoylamino)pentanedioic acid
CID 173170599
(2S)-2-(hexanoylamino)pentanedioic acid
CID 54368145
sodium;(2R)-2-(hexadecanoylamino)pentanedioic acid;hydride
CID 173283992
2-(dodecanoylamino)pentanedioic acid;bis(hexanamide)
CID 175413316
hexadecan-7-ol;(2S)-2-(hexadecanoylamino)pentanedioic acid
CID 175883903
bis(2-methylpropanamide);(2S)-2-(octanoylamino)pentanedioic acid
CID 157237897
2-aminoethanol;2-(tetradecanoylamino)pentanedioic acid
CID 175329690

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(tetradecanoylamino)pentanedioic acid?
The IUPAC name of (2S)-2-(tetradecanoylamino)pentanedioic acid (CID 18634845) is (2S)-2-(tetradecanoylamino)pentanedioic acid.
What is the SMILES notation for (2S)-2-(tetradecanoylamino)pentanedioic acid?
The canonical SMILES for (2S)-2-(tetradecanoylamino)pentanedioic acid is CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-(tetradecanoylamino)pentanedioic acid?
The InChIKey is MTJZWYHTZFVEGI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H35NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16(19(24)25)14-15-18(22)23/h16H,2-15H2,1H3,(H,20,21)(H,22,23)(H,24,25)/t16-/m0/s1.
What are the key properties of (2S)-2-(tetradecanoylamino)pentanedioic acid?
(2S)-2-(tetradecanoylamino)pentanedioic acid has a molecular weight of 357.49 g/mol, XLogP of 4.12, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(tetradecanoylamino)pentanedioic acid is sourced from PubChem (CID 18634845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).