2-[carboxymethyl(oxolan-3-yl)amino]acetic acid

C8H13NO5 — CID 63644632

IUPAC2-[carboxymethyl(oxolan-3-yl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C1CCOC1
InChIInChI=1S/C8H13NO5/c10-7(11)3-9(4-8(12)13)6-1-2-14-5-6/h6H,1-5H2,(H,10,11)(H,12,13)
InChIKeyAIWGSXNWOAPDSI-UHFFFAOYSA-N
MW203.19 g/mol
LogP-0.75
Rot. Bonds5

About 2-[carboxymethyl(oxolan-3-yl)amino]acetic acid

2-[carboxymethyl(oxolan-3-yl)amino]acetic acid (PubChem CID 63644632) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-[carboxymethyl(oxolan-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(oxolan-3-yl)amino]acetic acid
PubChem CID63644632
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name2-[carboxymethyl(oxolan-3-yl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C1CCOC1
InChIInChI=1S/C8H13NO5/c10-7(11)3-9(4-8(12)13)6-1-2-14-5-6/h6H,1-5H2,(H,10,11)(H,12,13)
InChIKeyAIWGSXNWOAPDSI-UHFFFAOYSA-N
XLogP-0.75
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl(oxolan-3-yl)amino]acetic acid
CID 63563211
2-[oxolan-3-yl(pyrimidin-5-yl)amino]acetic acid
CID 83822984
2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79893758
2-[4-chloro-N-(oxolan-3-yl)anilino]acetic acid
CID 63562630
2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
CID 79894522
2-[oxepan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266351
2-[ethyl-[3-[[oxolan-3-yl(propan-2-yl)carbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122026572
3-[ethyl(oxan-3-yl)amino]propanoic acid
CID 65062378
5-[methyl(oxolan-3-yl)amino]-5-oxopentanoic acid
CID 82732881
3-amino-2-[methyl(oxolan-3-yl)amino]propanoic acid
CID 82734246
2-[carboxymethyl(oxiran-2-yl)amino]acetic acid
CID 87519031
2-[(4-aminocyclohexyl)-(carboxymethyl)amino]acetic acid
CID 57287065

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(oxolan-3-yl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(oxolan-3-yl)amino]acetic acid (CID 63644632) is 2-[carboxymethyl(oxolan-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(oxolan-3-yl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(oxolan-3-yl)amino]acetic acid is O=C(O)CN(CC(=O)O)C1CCOC1.
What is the InChIKey of 2-[carboxymethyl(oxolan-3-yl)amino]acetic acid?
The InChIKey is AIWGSXNWOAPDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c10-7(11)3-9(4-8(12)13)6-1-2-14-5-6/h6H,1-5H2,(H,10,11)(H,12,13).
What are the key properties of 2-[carboxymethyl(oxolan-3-yl)amino]acetic acid?
2-[carboxymethyl(oxolan-3-yl)amino]acetic acid has a molecular weight of 203.19 g/mol, XLogP of -0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(oxolan-3-yl)amino]acetic acid is sourced from PubChem (CID 63644632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).