(2R)-2-(undecanoylamino)pentanedioic acid

C16H29NO5 — CID 11472521

IUPAC(2R)-2-(undecanoylamino)pentanedioic acid
SMILESCCCCCCCCCCC(=O)N[C@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C16H29NO5/c1-2-3-4-5-6-7-8-9-10-14(18)17-13(16(21)22)11-12-15(19)20/h13H,2-12H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t13-/m1/s1
InChIKeyROSWHBDLUMOYGD-CYBMUJFWSA-N
MW315.41 g/mol
LogP2.95
Rot. Bonds14

About (2R)-2-(undecanoylamino)pentanedioic acid

(2R)-2-(undecanoylamino)pentanedioic acid (PubChem CID 11472521) has the molecular formula C16H29NO5 and a molecular weight of 315.41 g/mol. Its IUPAC name is (2R)-2-(undecanoylamino)pentanedioic acid.

Molecular Properties

Compound Name(2R)-2-(undecanoylamino)pentanedioic acid
PubChem CID11472521
Molecular FormulaC16H29NO5
Molecular Weight315.41 g/mol
Exact Mass315.20
IUPAC Name(2R)-2-(undecanoylamino)pentanedioic acid
SMILESCCCCCCCCCCC(=O)N[C@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C16H29NO5/c1-2-3-4-5-6-7-8-9-10-14(18)17-13(16(21)22)11-12-15(19)20/h13H,2-12H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t13-/m1/s1
InChIKeyROSWHBDLUMOYGD-CYBMUJFWSA-N
XLogP2.95
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.95
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

(2S)-2-(tetradecanoylamino)pentanedioic acid
CID 18634845
2-(dodecanoylamino)pentanedioic acid;bis(hexane)
CID 175093348
alumane;(2S)-2-(dodecanoylamino)pentanedioic acid
CID 173075186
azane;(2S)-2-(dodecanoylamino)pentanedioic acid
CID 173170599
N-Myristoyl-L-glutamic acid sodium salt
CID 87532244
potassium (2R)-2-(dodecanoylamino)pentanedioic acid
CID 10270407
(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
2-aminoethanol;2-(tetradecanoylamino)pentanedioic acid
CID 175329690
bis(2-methylpropanamide);(2S)-2-(octanoylamino)pentanedioic acid
CID 157237897

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(undecanoylamino)pentanedioic acid?
The IUPAC name of (2R)-2-(undecanoylamino)pentanedioic acid (CID 11472521) is (2R)-2-(undecanoylamino)pentanedioic acid.
What is the SMILES notation for (2R)-2-(undecanoylamino)pentanedioic acid?
The canonical SMILES for (2R)-2-(undecanoylamino)pentanedioic acid is CCCCCCCCCCC(=O)N[C@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-(undecanoylamino)pentanedioic acid?
The InChIKey is ROSWHBDLUMOYGD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H29NO5/c1-2-3-4-5-6-7-8-9-10-14(18)17-13(16(21)22)11-12-15(19)20/h13H,2-12H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-2-(undecanoylamino)pentanedioic acid?
(2R)-2-(undecanoylamino)pentanedioic acid has a molecular weight of 315.41 g/mol, XLogP of 2.95, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(undecanoylamino)pentanedioic acid is sourced from PubChem (CID 11472521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).