(2S)-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]propanoic acid

C11H21NO4 — CID 104876420

IUPAC(2S)-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]propanoic acid
SMILESCC(C)N(C(=O)CO[C@@H](C)C(=O)O)C(C)C
InChIInChI=1S/C11H21NO4/c1-7(2)12(8(3)4)10(13)6-16-9(5)11(14)15/h7-9H,6H2,1-5H3,(H,14,15)/t9-/m0/s1
InChIKeyNUZYOPJAWUBKEQ-VIFPVBQESA-N
MW231.29 g/mol
LogP1.12
Rot. Bonds6

About (2S)-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]propanoic acid

(2S)-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]propanoic acid (PubChem CID 104876420) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is (2S)-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]propanoic acid
PubChem CID104876420
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name(2S)-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]propanoic acid
SMILESCC(C)N(C(=O)CO[C@@H](C)C(=O)O)C(C)C
InChIInChI=1S/C11H21NO4/c1-7(2)12(8(3)4)10(13)6-16-9(5)11(14)15/h7-9H,6H2,1-5H3,(H,14,15)/t9-/m0/s1
InChIKeyNUZYOPJAWUBKEQ-VIFPVBQESA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-(dipropylamino)-2-oxoethoxy]propanoic acid
CID 104875289
2-(2-amino-2-oxoethoxy)propanoic acid
CID 88812452
2-ethoxypropanoic acid;methane
CID 160636954
ethane-1,2-diol;2-ethoxypropanoic acid
CID 87566881
(2R)-2-(aminomethoxy)propanoic acid
CID 147031217
(2R)-2-(methoxymethoxy)propanoic acid
CID 10844423
(2S)-2-(2-ethoxypropoxy)propanoic acid
CID 151300849
(2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid
CID 104876158
(2S)-2-[2-(2-acetamidoethylamino)-2-oxoethoxy]propanoic acid
CID 104876100
2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172850156
2-(2-fluoroethoxy)propanoic acid
CID 84648269
(2S)-2-[2-oxo-2-(prop-2-ynylamino)ethoxy]propanoic acid
CID 104876435

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]propanoic acid?
The IUPAC name of (2S)-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]propanoic acid (CID 104876420) is (2S)-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]propanoic acid?
The canonical SMILES for (2S)-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]propanoic acid is CC(C)N(C(=O)CO[C@@H](C)C(=O)O)C(C)C.
What is the InChIKey of (2S)-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]propanoic acid?
The InChIKey is NUZYOPJAWUBKEQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21NO4/c1-7(2)12(8(3)4)10(13)6-16-9(5)11(14)15/h7-9H,6H2,1-5H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]propanoic acid?
(2S)-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]propanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]propanoic acid is sourced from PubChem (CID 104876420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).