2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid

C14H23NO5 — CID 79894522

IUPAC2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H23NO5/c16-12(17)9-15(10-13(18)19)11-4-7-20-14(8-11)5-2-1-3-6-14/h11H,1-10H2,(H,16,17)(H,18,19)
InChIKeyDCXDGIQXYBNACW-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.34
Rot. Bonds5

About 2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid

2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid (PubChem CID 79894522) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
PubChem CID79894522
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H23NO5/c16-12(17)9-15(10-13(18)19)11-4-7-20-14(8-11)5-2-1-3-6-14/h11H,1-10H2,(H,16,17)(H,18,19)
InChIKeyDCXDGIQXYBNACW-UHFFFAOYSA-N
XLogP1.34
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79893758
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-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid
CID 79894587
2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894047
2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79894267
2-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]acetic acid
CID 79894049
2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79920437
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
methyl 2-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetate
CID 79920105
3-[tert-butyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid
CID 79901108

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid (CID 79894522) is 2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid is O=C(O)CN(CC(=O)O)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid?
The InChIKey is DCXDGIQXYBNACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c16-12(17)9-15(10-13(18)19)11-4-7-20-14(8-11)5-2-1-3-6-14/h11H,1-10H2,(H,16,17)(H,18,19).
What are the key properties of 2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid?
2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid is sourced from PubChem (CID 79894522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).