2-(2-methylundecanoylamino)propanoic acid

C15H29NO3 — CID 89211024

IUPAC2-(2-methylundecanoylamino)propanoic acid
SMILESCCCCCCCCCC(C)C(=O)NC(C)C(=O)O
InChIInChI=1S/C15H29NO3/c1-4-5-6-7-8-9-10-11-12(2)14(17)16-13(3)15(18)19/h12-13H,4-11H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyDSVRYDQXFGDKOA-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.35
Rot. Bonds11

About 2-(2-methylundecanoylamino)propanoic acid

2-(2-methylundecanoylamino)propanoic acid (PubChem CID 89211024) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(2-methylundecanoylamino)propanoic acid.

Molecular Properties

Compound Name2-(2-methylundecanoylamino)propanoic acid
PubChem CID89211024
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name2-(2-methylundecanoylamino)propanoic acid
SMILESCCCCCCCCCC(C)C(=O)NC(C)C(=O)O
InChIInChI=1S/C15H29NO3/c1-4-5-6-7-8-9-10-11-12(2)14(17)16-13(3)15(18)19/h12-13H,4-11H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyDSVRYDQXFGDKOA-UHFFFAOYSA-N
XLogP3.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-methyl-2-(2-methylundecanoylamino)butanoic acid
CID 89211028
sodium (2S)-2-(2-methylundecanoylamino)propanoate
CID 140600022
6-(methylamino)-2-(2-methylheptanoylamino)hexanoic acid
CID 118032738
[carboxy-(2-methyltetradecanoylamino)methyl]-trimethylazanium
CID 19045049
(2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid
CID 103868754
2-(2-methylbutanoylamino)heptanoic acid
CID 115910245
2-methyl-N-nonyldecanamide
CID 141429494
heptane;2-methylheptadecanoic acid
CID 175511035
2-(2-methylbutanoylamino)propanoic acid
CID 14758658
(2S)-2-(2-methylheptanoylamino)pentanedioic acid
CID 90258188
(2S)-2-[2-(carbamoylamino)hexanoylamino]propanoic acid
CID 119942919
N-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide
CID 154697432

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylundecanoylamino)propanoic acid?
The IUPAC name of 2-(2-methylundecanoylamino)propanoic acid (CID 89211024) is 2-(2-methylundecanoylamino)propanoic acid.
What is the SMILES notation for 2-(2-methylundecanoylamino)propanoic acid?
The canonical SMILES for 2-(2-methylundecanoylamino)propanoic acid is CCCCCCCCCC(C)C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-(2-methylundecanoylamino)propanoic acid?
The InChIKey is DSVRYDQXFGDKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-5-6-7-8-9-10-11-12(2)14(17)16-13(3)15(18)19/h12-13H,4-11H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-(2-methylundecanoylamino)propanoic acid?
2-(2-methylundecanoylamino)propanoic acid has a molecular weight of 271.40 g/mol, XLogP of 3.35, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylundecanoylamino)propanoic acid is sourced from PubChem (CID 89211024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).