3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid

C11H20N2O4 — CID 66165088

IUPAC3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid
SMILESO=C(O)C(O)CNC(=O)N1CCCCCCC1
InChIInChI=1S/C11H20N2O4/c14-9(10(15)16)8-12-11(17)13-6-4-2-1-3-5-7-13/h9,14H,1-8H2,(H,12,17)(H,15,16)
InChIKeyBHENBFRRFWIKJR-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.41
Rot. Bonds3

About 3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid

3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid (PubChem CID 66165088) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid
PubChem CID66165088
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid
SMILESO=C(O)C(O)CNC(=O)N1CCCCCCC1
InChIInChI=1S/C11H20N2O4/c14-9(10(15)16)8-12-11(17)13-6-4-2-1-3-5-7-13/h9,14H,1-8H2,(H,12,17)(H,15,16)
InChIKeyBHENBFRRFWIKJR-UHFFFAOYSA-N
XLogP0.41
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid
CID 107838219
2-hydroxy-3-(1,4-oxazepane-4-carbonylamino)propanoic acid
CID 66165537
(2S)-2-hydroxy-3-[(4-methylazepane-1-carbonyl)amino]propanoic acid
CID 107839970
(2S)-2-hydroxy-3-[(4-propan-2-ylazepane-1-carbonyl)amino]propanoic acid
CID 107840142
(2S)-2-hydroxy-3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
CID 107840674
3-(azocane-1-carbonylamino)-2-methylpropanoic acid
CID 62669756
3-(azepane-1-carbonylamino)-2-methylpropanoic acid
CID 62671321
3-[(4-ethylazepane-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166177
(2S)-2-hydroxy-3-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 107840590
2-hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
CID 66167975
N-(2,3-dihydroxypropyl)piperidine-1-carboxamide
CID 79155189
N-[2-methyl-3-(methylamino)propyl]azepane-1-carboxamide
CID 115302691

Frequently Asked Questions

What is the IUPAC name of 3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid?
The IUPAC name of 3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid (CID 66165088) is 3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid is O=C(O)C(O)CNC(=O)N1CCCCCCC1.
What is the InChIKey of 3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid?
The InChIKey is BHENBFRRFWIKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c14-9(10(15)16)8-12-11(17)13-6-4-2-1-3-5-7-13/h9,14H,1-8H2,(H,12,17)(H,15,16).
What are the key properties of 3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid?
3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid is sourced from PubChem (CID 66165088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).