2-[carboxymethyl(oxolan-2-ylmethyl)amino]acetic acid

C9H15NO5 — CID 11042173

IUPAC2-[carboxymethyl(oxolan-2-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC1CCCO1
InChIInChI=1S/C9H15NO5/c11-8(12)5-10(6-9(13)14)4-7-2-1-3-15-7/h7H,1-6H2,(H,11,12)(H,13,14)
InChIKeyZBKZVLWKIGBXIS-UHFFFAOYSA-N
MW217.22 g/mol
LogP-0.36
Rot. Bonds6

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

2-[carboxymethyl(oxolan-2-ylmethyl)amino]acetic acid (PubChem CID 11042173) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-[carboxymethyl(oxolan-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(oxolan-2-ylmethyl)amino]acetic acid
PubChem CID11042173
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name2-[carboxymethyl(oxolan-2-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC1CCCO1
InChIInChI=1S/C9H15NO5/c11-8(12)5-10(6-9(13)14)4-7-2-1-3-15-7/h7H,1-6H2,(H,11,12)(H,13,14)
InChIKeyZBKZVLWKIGBXIS-UHFFFAOYSA-N
XLogP-0.36
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(((Tert-butoxy)carbonyl)((oxolan-2-yl)methyl)amino)acetic acid
CID 54595685
2-(((Tetrahydrofuran-2-yl)methyl)amino)acetic acid
CID 43114896
2-[Oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258603
2-[(5-Methyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 82839748
2-{2,2,2-trifluoro-N-[(oxolan-2-yl)methyl]acetamido}acetic acid
CID 165939265
2-[4-(Oxolan-2-ylmethyl)piperazin-1-yl]acetic acid
CID 43397377
2-{[(Furan-2-yl)methyl](methyl)amino}acetic acid
CID 43442255
2-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid
CID 66391932
2-[3,9-Bis(carboxymethyl)-14-oxa-3,6,9-triazabicyclo[9.2.1]tetradecan-6-yl]acetic acid
CID 67794894
2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid
CID 90739959
2-[[(1R,2R)-2-butoxycyclopentyl]-(carboxymethyl)amino]acetic acid
CID 118026791
2-[[(1S,2S)-2-butoxycyclopentyl]-(carboxymethyl)amino]acetic acid
CID 118026795

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(oxolan-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(oxolan-2-ylmethyl)amino]acetic acid (CID 11042173) is 2-[carboxymethyl(oxolan-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(oxolan-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(oxolan-2-ylmethyl)amino]acetic acid is O=C(O)CN(CC(=O)O)CC1CCCO1.
What is the InChIKey of 2-[carboxymethyl(oxolan-2-ylmethyl)amino]acetic acid?
The InChIKey is ZBKZVLWKIGBXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c11-8(12)5-10(6-9(13)14)4-7-2-1-3-15-7/h7H,1-6H2,(H,11,12)(H,13,14).
What are the key properties of 2-[carboxymethyl(oxolan-2-ylmethyl)amino]acetic acid?
2-[carboxymethyl(oxolan-2-ylmethyl)amino]acetic acid has a molecular weight of 217.22 g/mol, XLogP of -0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(oxolan-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 11042173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).