2-[carboxymethyl-(2-hydroxy-2-methylpropyl)amino]acetic acid

C8H15NO5 — CID 63646957

IUPAC2-[carboxymethyl-(2-hydroxy-2-methylpropyl)amino]acetic acid
SMILESCC(C)(O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H15NO5/c1-8(2,14)5-9(3-6(10)11)4-7(12)13/h14H,3-5H2,1-2H3,(H,10,11)(H,12,13)
InChIKeySHGVGFZLCVPNJP-UHFFFAOYSA-N
MW205.21 g/mol
LogP-0.77
Rot. Bonds6

About 2-[carboxymethyl-(2-hydroxy-2-methylpropyl)amino]acetic acid

2-[carboxymethyl-(2-hydroxy-2-methylpropyl)amino]acetic acid (PubChem CID 63646957) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-[carboxymethyl-(2-hydroxy-2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(2-hydroxy-2-methylpropyl)amino]acetic acid
PubChem CID63646957
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-[carboxymethyl-(2-hydroxy-2-methylpropyl)amino]acetic acid
SMILESCC(C)(O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H15NO5/c1-8(2,14)5-9(3-6(10)11)4-7(12)13/h14H,3-5H2,1-2H3,(H,10,11)(H,12,13)
InChIKeySHGVGFZLCVPNJP-UHFFFAOYSA-N
XLogP-0.77
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-2-methylpropyl)-prop-2-ynylamino]acetic acid
CID 79274217
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
2-[(2-hydroxy-2-methylbutyl)-propylamino]acetic acid
CID 114494841
2-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid
CID 114494839
2-[carboxymethyl(1,1-dihydroxyethyl)amino]acetic acid
CID 22044432
bis(2-[bis(carboxymethyl)amino]acetic acid);sulfane
CID 87731380
CID 160559897
CID 160559897
CID 23617736
CID 23617736
2-[bis(carboxymethyl)amino]acetic acid;cerium
CID 88686592
4-[ethyl-(2-hydroxy-2-methylpropyl)amino]but-2-enoic acid
CID 79386710
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-oxopropanoic acid
CID 79385431

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(2-hydroxy-2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(2-hydroxy-2-methylpropyl)amino]acetic acid (CID 63646957) is 2-[carboxymethyl-(2-hydroxy-2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(2-hydroxy-2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(2-hydroxy-2-methylpropyl)amino]acetic acid is CC(C)(O)CN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-(2-hydroxy-2-methylpropyl)amino]acetic acid?
The InChIKey is SHGVGFZLCVPNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-8(2,14)5-9(3-6(10)11)4-7(12)13/h14H,3-5H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-[carboxymethyl-(2-hydroxy-2-methylpropyl)amino]acetic acid?
2-[carboxymethyl-(2-hydroxy-2-methylpropyl)amino]acetic acid has a molecular weight of 205.21 g/mol, XLogP of -0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(2-hydroxy-2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63646957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).