2-[carboxymethyl-(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetic acid

C8H15NO6 — CID 23422380

IUPAC2-[carboxymethyl-(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetic acid
SMILESCC(CO)(CO)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H15NO6/c1-8(4-10,5-11)9(2-6(12)13)3-7(14)15/h10-11H,2-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyLWXRSDVKNYYTEH-UHFFFAOYSA-N
MW221.21 g/mol
LogP-1.80
Rot. Bonds7

About 2-[carboxymethyl-(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetic acid

2-[carboxymethyl-(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetic acid (PubChem CID 23422380) has the molecular formula C8H15NO6 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-[carboxymethyl-(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetic acid
PubChem CID23422380
Molecular FormulaC8H15NO6
Molecular Weight221.21 g/mol
Exact Mass221.09
IUPAC Name2-[carboxymethyl-(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetic acid
SMILESCC(CO)(CO)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H15NO6/c1-8(4-10,5-11)9(2-6(12)13)3-7(14)15/h10-11H,2-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyLWXRSDVKNYYTEH-UHFFFAOYSA-N
XLogP-1.80
TPSA118.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 15117148
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CID 54044742
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CID 15465224
CID 15465224
CID 23422381
CID 23422381
CID 176472469
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CID 219632
CID 219632
CID 10198016
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CID 11745641
CID 11745641
CID 14832599
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CID 14832601
CID 14832601

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetic acid (CID 23422380) is 2-[carboxymethyl-(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetic acid is CC(CO)(CO)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetic acid?
The InChIKey is LWXRSDVKNYYTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO6/c1-8(4-10,5-11)9(2-6(12)13)3-7(14)15/h10-11H,2-5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[carboxymethyl-(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetic acid?
2-[carboxymethyl-(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetic acid has a molecular weight of 221.21 g/mol, XLogP of -1.80, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetic acid is sourced from PubChem (CID 23422380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).