2-[3-(carboxymethyl)-5-hydroxy-1,3-diazinan-1-yl]acetic acid

C8H14N2O5 — CID 20533582

IUPAC2-[3-(carboxymethyl)-5-hydroxy-1,3-diazinan-1-yl]acetic acid
SMILESO=C(O)CN1CC(O)CN(CC(=O)O)C1
InChIInChI=1S/C8H14N2O5/c11-6-1-9(3-7(12)13)5-10(2-6)4-8(14)15/h6,11H,1-5H2,(H,12,13)(H,14,15)
InChIKeyRAYBLNDHFBIZSH-UHFFFAOYSA-N
MW218.21 g/mol
LogP-1.91
Rot. Bonds4

About 2-[3-(carboxymethyl)-5-hydroxy-1,3-diazinan-1-yl]acetic acid

2-[3-(carboxymethyl)-5-hydroxy-1,3-diazinan-1-yl]acetic acid (PubChem CID 20533582) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-[3-(carboxymethyl)-5-hydroxy-1,3-diazinan-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(carboxymethyl)-5-hydroxy-1,3-diazinan-1-yl]acetic acid
PubChem CID20533582
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name2-[3-(carboxymethyl)-5-hydroxy-1,3-diazinan-1-yl]acetic acid
SMILESO=C(O)CN1CC(O)CN(CC(=O)O)C1
InChIInChI=1S/C8H14N2O5/c11-6-1-9(3-7(12)13)5-10(2-6)4-8(14)15/h6,11H,1-5H2,(H,12,13)(H,14,15)
InChIKeyRAYBLNDHFBIZSH-UHFFFAOYSA-N
XLogP-1.91
TPSA101.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-hydroxyazetidin-1-yl)acetic acid
CID 63282398
2-[(3R,5S)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetic acid
CID 10421439
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
propan-2-yl 2-(3-hydroxyazetidin-1-yl)acetate
CID 63282457
2-(3-tert-butylazetidin-1-yl)acetic acid
CID 79687035
2-[5-(carboxymethyl)-1,5-diazocan-1-yl]acetic acid
CID 4776245
2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129381021
2-[(3S,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]acetic acid
CID 129499607
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129445651
2-[7-(carboxymethyl)-3,5-bis(2-oxoethyl)-1,3,5,7-tetrazonan-1-yl]acetic acid
CID 177001576
2-[4-(difluoromethyl)piperidin-1-yl]acetic acid
CID 121215401
3-[1,4-bis(carboxymethyl)-1,4-diazepan-6-yl]pentanedioic acid
CID 123681464

Frequently Asked Questions

What is the IUPAC name of 2-[3-(carboxymethyl)-5-hydroxy-1,3-diazinan-1-yl]acetic acid?
The IUPAC name of 2-[3-(carboxymethyl)-5-hydroxy-1,3-diazinan-1-yl]acetic acid (CID 20533582) is 2-[3-(carboxymethyl)-5-hydroxy-1,3-diazinan-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(carboxymethyl)-5-hydroxy-1,3-diazinan-1-yl]acetic acid?
The canonical SMILES for 2-[3-(carboxymethyl)-5-hydroxy-1,3-diazinan-1-yl]acetic acid is O=C(O)CN1CC(O)CN(CC(=O)O)C1.
What is the InChIKey of 2-[3-(carboxymethyl)-5-hydroxy-1,3-diazinan-1-yl]acetic acid?
The InChIKey is RAYBLNDHFBIZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O5/c11-6-1-9(3-7(12)13)5-10(2-6)4-8(14)15/h6,11H,1-5H2,(H,12,13)(H,14,15).
What are the key properties of 2-[3-(carboxymethyl)-5-hydroxy-1,3-diazinan-1-yl]acetic acid?
2-[3-(carboxymethyl)-5-hydroxy-1,3-diazinan-1-yl]acetic acid has a molecular weight of 218.21 g/mol, XLogP of -1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(carboxymethyl)-5-hydroxy-1,3-diazinan-1-yl]acetic acid is sourced from PubChem (CID 20533582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).