2-[carboxymethyl(oxan-3-ylmethyl)amino]acetic acid

C10H17NO5 — CID 65065307

IUPAC2-[carboxymethyl(oxan-3-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC1CCCOC1
InChIInChI=1S/C10H17NO5/c12-9(13)5-11(6-10(14)15)4-8-2-1-3-16-7-8/h8H,1-7H2,(H,12,13)(H,14,15)
InChIKeyGQNUFQJBLPUWMM-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.12
Rot. Bonds6

About 2-[carboxymethyl(oxan-3-ylmethyl)amino]acetic acid

2-[carboxymethyl(oxan-3-ylmethyl)amino]acetic acid (PubChem CID 65065307) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[carboxymethyl(oxan-3-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(oxan-3-ylmethyl)amino]acetic acid
PubChem CID65065307
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name2-[carboxymethyl(oxan-3-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC1CCCOC1
InChIInChI=1S/C10H17NO5/c12-9(13)5-11(6-10(14)15)4-8-2-1-3-16-7-8/h8H,1-7H2,(H,12,13)(H,14,15)
InChIKeyGQNUFQJBLPUWMM-UHFFFAOYSA-N
XLogP-0.12
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid
CID 63708066
2-[(2-amino-2-oxoethyl)-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid
CID 107438771
2-[[methyl(oxan-3-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63706388
2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63713511
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
2-[(2-amino-2-oxoethyl)-(cyclobutylmethyl)amino]acetic acid
CID 107440783
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
3-[benzyl-[[(3S)-oxan-3-yl]methyl]amino]propanamide
CID 124755311
1-cyclopentyl-2-(oxan-3-yl)ethanone
CID 107135385
3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787
2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid
CID 63712672

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(oxan-3-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(oxan-3-ylmethyl)amino]acetic acid (CID 65065307) is 2-[carboxymethyl(oxan-3-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(oxan-3-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(oxan-3-ylmethyl)amino]acetic acid is O=C(O)CN(CC(=O)O)CC1CCCOC1.
What is the InChIKey of 2-[carboxymethyl(oxan-3-ylmethyl)amino]acetic acid?
The InChIKey is GQNUFQJBLPUWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c12-9(13)5-11(6-10(14)15)4-8-2-1-3-16-7-8/h8H,1-7H2,(H,12,13)(H,14,15).
What are the key properties of 2-[carboxymethyl(oxan-3-ylmethyl)amino]acetic acid?
2-[carboxymethyl(oxan-3-ylmethyl)amino]acetic acid has a molecular weight of 231.25 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(oxan-3-ylmethyl)amino]acetic acid is sourced from PubChem (CID 65065307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).