2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid

C12H19NO5 — CID 79893758

IUPAC2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C1CCOC2(CCC2)C1
InChIInChI=1S/C12H19NO5/c14-10(15)7-13(8-11(16)17)9-2-5-18-12(6-9)3-1-4-12/h9H,1-8H2,(H,14,15)(H,16,17)
InChIKeyVVOVIKHDUZAJOP-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.56
Rot. Bonds5

About 2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid

2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid (PubChem CID 79893758) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
PubChem CID79893758
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C1CCOC2(CCC2)C1
InChIInChI=1S/C12H19NO5/c14-10(15)7-13(8-11(16)17)9-2-5-18-12(6-9)3-1-4-12/h9H,1-8H2,(H,14,15)(H,16,17)
InChIKeyVVOVIKHDUZAJOP-UHFFFAOYSA-N
XLogP0.56
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
CID 79894522
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid
CID 79894587
2-[(2-amino-2-oxoethyl)-(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
CID 107440798
2-[cyclopropylmethyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894349
2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79894267
2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894047
2-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]acetic acid
CID 79894049
3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid
CID 79894193
2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894511
2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(prop-2-enyl)amino]acetic acid
CID 79901710
2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79920437
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]ethanol
CID 79919770

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid (CID 79893758) is 2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid is O=C(O)CN(CC(=O)O)C1CCOC2(CCC2)C1.
What is the InChIKey of 2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid?
The InChIKey is VVOVIKHDUZAJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c14-10(15)7-13(8-11(16)17)9-2-5-18-12(6-9)3-1-4-12/h9H,1-8H2,(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid?
2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid has a molecular weight of 257.29 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid is sourced from PubChem (CID 79893758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).