2-[[(2R)-3-butoxy-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid

C11H21NO6 — CID 124630639

IUPAC2-[[(2R)-3-butoxy-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid
SMILESCCCCOC[C@H](O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H21NO6/c1-2-3-4-18-8-9(13)5-12(6-10(14)15)7-11(16)17/h9,13H,2-8H2,1H3,(H,14,15)(H,16,17)/t9-/m1/s1
InChIKeyMEFRSPCAEIYGIX-SECBINFHSA-N
MW263.29 g/mol
LogP-0.36
Rot. Bonds11

About 2-[[(2R)-3-butoxy-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid

2-[[(2R)-3-butoxy-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid (PubChem CID 124630639) has the molecular formula C11H21NO6 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[[(2R)-3-butoxy-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-3-butoxy-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid
PubChem CID124630639
Molecular FormulaC11H21NO6
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC Name2-[[(2R)-3-butoxy-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid
SMILESCCCCOC[C@H](O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H21NO6/c1-2-3-4-18-8-9(13)5-12(6-10(14)15)7-11(16)17/h9,13H,2-8H2,1H3,(H,14,15)(H,16,17)/t9-/m1/s1
InChIKeyMEFRSPCAEIYGIX-SECBINFHSA-N
XLogP-0.36
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

sodium 2-[(3-butoxy-2-hydroxypropyl)-(carboxymethyl)amino]acetate
CID 56842597
2-[(3-butoxy-2-hydroxypropyl)-cyclopropylamino]acetic acid
CID 107263550
2-[(3-ethoxy-2-hydroxypropyl)-(2-methylpropyl)amino]acetic acid
CID 63931982
1-[bis(3-methylbutyl)amino]-3-butoxypropan-2-ol
CID 107870717
1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol
CID 107263774
1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol
CID 107263779
1-[6-[bis(3-dodecoxy-2-hydroxypropyl)amino]hexyl-(3-dodecoxy-2-hydroxypropyl)amino]-3-dodecoxypropan-2-ol
CID 170444415
3-[bis(3-butoxy-2-hydroxypropyl)amino]butan-2-one
CID 89130690
(2R)-1-butoxybutan-2-ol
CID 27255938
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
1-butoxypropan-2-ol;propanoic acid
CID 87504807
1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol
CID 107483861

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-3-butoxy-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[[(2R)-3-butoxy-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid (CID 124630639) is 2-[[(2R)-3-butoxy-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[[(2R)-3-butoxy-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[[(2R)-3-butoxy-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid is CCCCOC[C@H](O)CN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[[(2R)-3-butoxy-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid?
The InChIKey is MEFRSPCAEIYGIX-SECBINFHSA-N. The full InChI is InChI=1S/C11H21NO6/c1-2-3-4-18-8-9(13)5-12(6-10(14)15)7-11(16)17/h9,13H,2-8H2,1H3,(H,14,15)(H,16,17)/t9-/m1/s1.
What are the key properties of 2-[[(2R)-3-butoxy-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid?
2-[[(2R)-3-butoxy-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid has a molecular weight of 263.29 g/mol, XLogP of -0.36, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-3-butoxy-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 124630639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).