2-[2-hydroxyethyl(propan-2-yl)amino]acetic acid

C7H15NO3 — CID 643451

IUPAC2-[2-hydroxyethyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CCO)CC(=O)O
InChIInChI=1S/C7H15NO3/c1-6(2)8(3-4-9)5-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyBTLNCQWPNAIRBY-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.23
Rot. Bonds5

About 2-[2-hydroxyethyl(propan-2-yl)amino]acetic acid

2-[2-hydroxyethyl(propan-2-yl)amino]acetic acid (PubChem CID 643451) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl(propan-2-yl)amino]acetic acid
PubChem CID643451
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-[2-hydroxyethyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CCO)CC(=O)O
InChIInChI=1S/C7H15NO3/c1-6(2)8(3-4-9)5-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyBTLNCQWPNAIRBY-UHFFFAOYSA-N
XLogP-0.23
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Bicine
CID 8761
(2-Hydroxyethyl)iminodiacetic acid
CID 7152
Glycine, N,N-bis(2-hydroxyethyl)-, sodium salt (1:1)
CID 23690434
N,N-Dimethylalanine
CID 5488191
N,N-Dimethyl-L-serine
CID 54353682
N-(2-Hydroxyethyl)-N-methylglycine
CID 11446353
2-[Cyclopropyl(methyl)amino]acetic acid
CID 43265135
Oxibetaine
CID 168886
2,2'-(Propan-2-ylimino)diacetic acid
CID 219559
N,N-Bis(carboxymethyl)alanine
CID 425415
(2R)-2-(dimethylamino)propanoic acid
CID 151045
(2R)-2-(diethylamino)propanoic acid
CID 15115621

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[2-hydroxyethyl(propan-2-yl)amino]acetic acid (CID 643451) is 2-[2-hydroxyethyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-hydroxyethyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[2-hydroxyethyl(propan-2-yl)amino]acetic acid is CC(C)N(CCO)CC(=O)O.
What is the InChIKey of 2-[2-hydroxyethyl(propan-2-yl)amino]acetic acid?
The InChIKey is BTLNCQWPNAIRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-6(2)8(3-4-9)5-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-[2-hydroxyethyl(propan-2-yl)amino]acetic acid?
2-[2-hydroxyethyl(propan-2-yl)amino]acetic acid has a molecular weight of 161.20 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 643451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).