2-(10-deuteriodecanoylamino)acetic acid

C12H23NO3 — CID 170555179

IUPAC2-(10-deuteriodecanoylamino)acetic acid
SMILES[2H]CCCCCCCCCC(=O)NCC(=O)O
InChIInChI=1S/C12H23NO3/c1-2-3-4-5-6-7-8-9-11(14)13-10-12(15)16/h2-10H2,1H3,(H,13,14)(H,15,16)/i1D
InChIKeyWRRYZYASRAUROW-MICDWDOJSA-N
MW230.33 g/mol
LogP2.33
Rot. Bonds11

About 2-(10-deuteriodecanoylamino)acetic acid

2-(10-deuteriodecanoylamino)acetic acid (PubChem CID 170555179) has the molecular formula C12H23NO3 and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-(10-deuteriodecanoylamino)acetic acid.

Molecular Properties

Compound Name2-(10-deuteriodecanoylamino)acetic acid
PubChem CID170555179
Molecular FormulaC12H23NO3
Molecular Weight230.33 g/mol
Exact Mass230.17
IUPAC Name2-(10-deuteriodecanoylamino)acetic acid
SMILES[2H]CCCCCCCCCC(=O)NCC(=O)O
InChIInChI=1S/C12H23NO3/c1-2-3-4-5-6-7-8-9-11(14)13-10-12(15)16/h2-10H2,1H3,(H,13,14)(H,15,16)/i1D
InChIKeyWRRYZYASRAUROW-MICDWDOJSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 52.33
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

2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
CID 15168777
sodium;2-(hexadecanoylamino)acetic acid;hydride
CID 173207705
potassium;hydride;2-(octadecanoylamino)acetic acid
CID 174739574
2-[4-(octanoylamino)butanoylamino]acetic acid
CID 170428184
2-[[(Z)-octadec-9-enoyl]amino]acetic acid
CID 6436908
2-[[(Z)-octadec-11-enoyl]amino]acetic acid
CID 135240006
2-[[12-(methylamino)-12-oxododecanoyl]amino]acetic acid
CID 163272447
2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]acetic acid
CID 5353808
1-[bis(1-hydroxyethyl)amino]ethanol;2-(tetradecanoylamino)acetic acid
CID 87532133
2-(7-aminoheptanoylamino)acetic acid
CID 18934956
2-[[2-(pentanoylamino)acetyl]amino]acetic acid
CID 43387772
2-(6-bromohexanoylamino)acetic acid
CID 18934957

Frequently Asked Questions

What is the IUPAC name of 2-(10-deuteriodecanoylamino)acetic acid?
The IUPAC name of 2-(10-deuteriodecanoylamino)acetic acid (CID 170555179) is 2-(10-deuteriodecanoylamino)acetic acid.
What is the SMILES notation for 2-(10-deuteriodecanoylamino)acetic acid?
The canonical SMILES for 2-(10-deuteriodecanoylamino)acetic acid is [2H]CCCCCCCCCC(=O)NCC(=O)O.
What is the InChIKey of 2-(10-deuteriodecanoylamino)acetic acid?
The InChIKey is WRRYZYASRAUROW-MICDWDOJSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-3-4-5-6-7-8-9-11(14)13-10-12(15)16/h2-10H2,1H3,(H,13,14)(H,15,16)/i1D.
What are the key properties of 2-(10-deuteriodecanoylamino)acetic acid?
2-(10-deuteriodecanoylamino)acetic acid has a molecular weight of 230.33 g/mol, XLogP of 2.33, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-deuteriodecanoylamino)acetic acid is sourced from PubChem (CID 170555179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).