2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid

C9H13NO6 — CID 104855690

IUPAC2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)[C@H]1CCCO1
InChIInChI=1S/C9H13NO6/c11-7(12)4-10(5-8(13)14)9(15)6-2-1-3-16-6/h6H,1-5H2,(H,11,12)(H,13,14)/t6-/m1/s1
InChIKeyKMTNIUOCMUFAQJ-ZCFIWIBFSA-N
MW231.20 g/mol
LogP-0.84
Rot. Bonds5

About 2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid

2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid (PubChem CID 104855690) has the molecular formula C9H13NO6 and a molecular weight of 231.20 g/mol. Its IUPAC name is 2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid
PubChem CID104855690
Molecular FormulaC9H13NO6
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)[C@H]1CCCO1
InChIInChI=1S/C9H13NO6/c11-7(12)4-10(5-8(13)14)9(15)6-2-1-3-16-6/h6H,1-5H2,(H,11,12)(H,13,14)/t6-/m1/s1
InChIKeyKMTNIUOCMUFAQJ-ZCFIWIBFSA-N
XLogP-0.84
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid (CID 104855690) is 2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)[C@H]1CCCO1.
What is the InChIKey of 2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid?
The InChIKey is KMTNIUOCMUFAQJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13NO6/c11-7(12)4-10(5-8(13)14)9(15)6-2-1-3-16-6/h6H,1-5H2,(H,11,12)(H,13,14)/t6-/m1/s1.
What are the key properties of 2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid?
2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid has a molecular weight of 231.20 g/mol, XLogP of -0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 104855690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).