2-(1,3-diazinan-2-yl)acetic acid

C6H12N2O2 — CID 91095230

IUPAC2-(1,3-diazinan-2-yl)acetic acid
SMILESO=C(O)CC1NCCCN1
InChIInChI=1S/C6H12N2O2/c9-6(10)4-5-7-2-1-3-8-5/h5,7-8H,1-4H2,(H,9,10)
InChIKeyCVTFZKSIFLQDJI-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.63
Rot. Bonds2

About 2-(1,3-diazinan-2-yl)acetic acid

2-(1,3-diazinan-2-yl)acetic acid (PubChem CID 91095230) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-(1,3-diazinan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3-diazinan-2-yl)acetic acid
PubChem CID91095230
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2-(1,3-diazinan-2-yl)acetic acid
SMILESO=C(O)CC1NCCCN1
InChIInChI=1S/C6H12N2O2/c9-6(10)4-5-7-2-1-3-8-5/h5,7-8H,1-4H2,(H,9,10)
InChIKeyCVTFZKSIFLQDJI-UHFFFAOYSA-N
XLogP-0.63
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(2R,3R)-2-cyclopropylpiperidin-3-yl]acetic acid
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2-[(2R,3R)-2-cyclopentylazepan-3-yl]acetic acid
CID 96603790
2-[(4Z,7E,10Z)-1-azacycloheptadeca-4,7,10-trien-2-yl]acetic acid
CID 67708591
2-aminoacetic acid;bis(pyrrolidine-2-carboxylic acid)
CID 23506507
2-[2,3,4-tris(carboxymethyl)cyclobutyl]acetic acid
CID 13046627
2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
CID 11401026
2-pyrrolidin-3-ylacetic acid;hydrochloride
CID 42614151
(2S)-1,3-oxazinane-2-carboxylic acid
CID 142515360
2-(2-cyclopentyl-1,3-diazinan-5-yl)acetic acid
CID 22147546

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diazinan-2-yl)acetic acid?
The IUPAC name of 2-(1,3-diazinan-2-yl)acetic acid (CID 91095230) is 2-(1,3-diazinan-2-yl)acetic acid.
What is the SMILES notation for 2-(1,3-diazinan-2-yl)acetic acid?
The canonical SMILES for 2-(1,3-diazinan-2-yl)acetic acid is O=C(O)CC1NCCCN1.
What is the InChIKey of 2-(1,3-diazinan-2-yl)acetic acid?
The InChIKey is CVTFZKSIFLQDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c9-6(10)4-5-7-2-1-3-8-5/h5,7-8H,1-4H2,(H,9,10).
What are the key properties of 2-(1,3-diazinan-2-yl)acetic acid?
2-(1,3-diazinan-2-yl)acetic acid has a molecular weight of 144.17 g/mol, XLogP of -0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diazinan-2-yl)acetic acid is sourced from PubChem (CID 91095230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).