(2R)-2-(1-amino-1-oxopropan-2-yl)oxypropanoic acid

C6H11NO4 — CID 104875476

IUPAC(2R)-2-(1-amino-1-oxopropan-2-yl)oxypropanoic acid
SMILESCC(O[C@H](C)C(=O)O)C(N)=O
InChIInChI=1S/C6H11NO4/c1-3(5(7)8)11-4(2)6(9)10/h3-4H,1-2H3,(H2,7,8)(H,9,10)/t3?,4-/m1/s1
InChIKeyUASDTNNKZYNULH-SRBOSORUSA-N
MW161.16 g/mol
LogP-0.65
Rot. Bonds4

About (2R)-2-(1-amino-1-oxopropan-2-yl)oxypropanoic acid

(2R)-2-(1-amino-1-oxopropan-2-yl)oxypropanoic acid (PubChem CID 104875476) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (2R)-2-(1-amino-1-oxopropan-2-yl)oxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-(1-amino-1-oxopropan-2-yl)oxypropanoic acid
PubChem CID104875476
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(2R)-2-(1-amino-1-oxopropan-2-yl)oxypropanoic acid
SMILESCC(O[C@H](C)C(=O)O)C(N)=O
InChIInChI=1S/C6H11NO4/c1-3(5(7)8)11-4(2)6(9)10/h3-4H,1-2H3,(H2,7,8)(H,9,10)/t3?,4-/m1/s1
InChIKeyUASDTNNKZYNULH-SRBOSORUSA-N
XLogP-0.65
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-1-[(2S)-1-[(2S)-1-[(1S)-1-carboxyethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
CID 156757405
2-(1-phosphonoethoxy)propanoic acid
CID 146452583
2-(2-amino-2-oxoethoxy)propanoic acid
CID 88812452
ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228
2-(1-carboxyethoxy)butanedioic acid
CID 18176039
(2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid
CID 139060964
2-[(2R)-2-hydroxypropanoyl]oxypropanoic acid
CID 54178313
(2R)-2-(aminomethoxy)propanoic acid
CID 147031217
2-methoxypropanoic acid;titanium
CID 175177225
2-methoxypropanoic acid;zirconium
CID 174567743
2-octan-4-yloxypropanoic acid
CID 151104523
2-methylpropanoic acid;ruthenium
CID 88674751

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-amino-1-oxopropan-2-yl)oxypropanoic acid?
The IUPAC name of (2R)-2-(1-amino-1-oxopropan-2-yl)oxypropanoic acid (CID 104875476) is (2R)-2-(1-amino-1-oxopropan-2-yl)oxypropanoic acid.
What is the SMILES notation for (2R)-2-(1-amino-1-oxopropan-2-yl)oxypropanoic acid?
The canonical SMILES for (2R)-2-(1-amino-1-oxopropan-2-yl)oxypropanoic acid is CC(O[C@H](C)C(=O)O)C(N)=O.
What is the InChIKey of (2R)-2-(1-amino-1-oxopropan-2-yl)oxypropanoic acid?
The InChIKey is UASDTNNKZYNULH-SRBOSORUSA-N. The full InChI is InChI=1S/C6H11NO4/c1-3(5(7)8)11-4(2)6(9)10/h3-4H,1-2H3,(H2,7,8)(H,9,10)/t3?,4-/m1/s1.
What are the key properties of (2R)-2-(1-amino-1-oxopropan-2-yl)oxypropanoic acid?
(2R)-2-(1-amino-1-oxopropan-2-yl)oxypropanoic acid has a molecular weight of 161.16 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-amino-1-oxopropan-2-yl)oxypropanoic acid is sourced from PubChem (CID 104875476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).