2-(azocane-1-carbonylamino)acetic acid

C10H18N2O3 — CID 43445649

IUPAC2-(azocane-1-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)N1CCCCCCC1
InChIInChI=1S/C10H18N2O3/c13-9(14)8-11-10(15)12-6-4-2-1-3-5-7-12/h1-8H2,(H,11,15)(H,13,14)
InChIKeyAMLRUIIUFKEUOV-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.05
Rot. Bonds2

About 2-(azocane-1-carbonylamino)acetic acid

2-(azocane-1-carbonylamino)acetic acid (PubChem CID 43445649) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(azocane-1-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-(azocane-1-carbonylamino)acetic acid
PubChem CID43445649
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-(azocane-1-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)N1CCCCCCC1
InChIInChI=1S/C10H18N2O3/c13-9(14)8-11-10(15)12-6-4-2-1-3-5-7-12/h1-8H2,(H,11,15)(H,13,14)
InChIKeyAMLRUIIUFKEUOV-UHFFFAOYSA-N
XLogP1.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-oxopropyl)azepane-1-carboxamide
CID 79152815
N-[(piperidine-1-carbonylamino)methyl]piperidine-1-carboxamide
CID 59031008
2-(morpholine-4-carbonylamino)acetic acid
CID 18917961
2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid
CID 103197217
2-[(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid
CID 63162157
2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid
CID 62992600
N-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide
CID 115578708
2-[2-[[2-[[2-(azepane-1-carbonylamino)acetyl]amino]acetyl]amino]hexanoylamino]acetic acid
CID 143234670
2-[(3-hydroxyazetidine-1-carbonyl)amino]acetic acid
CID 130879135
N-(2-fluoroethyl)piperidine-1-carboxamide
CID 126973652
2-[(4-carbamimidoylpiperazine-1-carbonyl)amino]acetic acid
CID 54124814
(2S)-3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid
CID 107838219

Frequently Asked Questions

What is the IUPAC name of 2-(azocane-1-carbonylamino)acetic acid?
The IUPAC name of 2-(azocane-1-carbonylamino)acetic acid (CID 43445649) is 2-(azocane-1-carbonylamino)acetic acid.
What is the SMILES notation for 2-(azocane-1-carbonylamino)acetic acid?
The canonical SMILES for 2-(azocane-1-carbonylamino)acetic acid is O=C(O)CNC(=O)N1CCCCCCC1.
What is the InChIKey of 2-(azocane-1-carbonylamino)acetic acid?
The InChIKey is AMLRUIIUFKEUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c13-9(14)8-11-10(15)12-6-4-2-1-3-5-7-12/h1-8H2,(H,11,15)(H,13,14).
What are the key properties of 2-(azocane-1-carbonylamino)acetic acid?
2-(azocane-1-carbonylamino)acetic acid has a molecular weight of 214.26 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocane-1-carbonylamino)acetic acid is sourced from PubChem (CID 43445649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).