2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]acetic acid

C8H15NO4 — CID 163971647

IUPAC2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]acetic acid
SMILESCCCOC(=O)[C@H](C)NCC(=O)O
InChIInChI=1S/C8H15NO4/c1-3-4-13-8(12)6(2)9-5-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeySQLXXEBAQHUMNZ-LURJTMIESA-N
MW189.21 g/mol
LogP0.00
Rot. Bonds6

About 2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]acetic acid

2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]acetic acid (PubChem CID 163971647) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]acetic acid
PubChem CID163971647
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]acetic acid
SMILESCCCOC(=O)[C@H](C)NCC(=O)O
InChIInChI=1S/C8H15NO4/c1-3-4-13-8(12)6(2)9-5-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeySQLXXEBAQHUMNZ-LURJTMIESA-N
XLogP0.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propane;propyl (2S)-2-(methylamino)propanoate
CID 171562611
2-(carboxymethylamino)propanoic acid
CID 2764308
3-[(1-ethoxy-1-oxopropan-2-yl)amino]butanoic acid
CID 61498801
propyl 2-(chlorophosphanylamino)propanoate
CID 144766666
5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid
CID 87941374
ethane;propyl 2-(propan-2-ylamino)acetate
CID 158517744
ethyl (2S)-2-(2-ethoxyethylamino)propanoate
CID 88726187
propyl 2-benzamidopropanoate
CID 71628004
propyl (2R)-2-methylbutanoate
CID 86306230
propyl (2S)-2-chloropropanoate
CID 40565872
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 61498958
2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid
CID 43466197

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]acetic acid (CID 163971647) is 2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]acetic acid is CCCOC(=O)[C@H](C)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]acetic acid?
The InChIKey is SQLXXEBAQHUMNZ-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO4/c1-3-4-13-8(12)6(2)9-5-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1.
What are the key properties of 2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]acetic acid?
2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]acetic acid has a molecular weight of 189.21 g/mol, XLogP of 0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]acetic acid is sourced from PubChem (CID 163971647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).