(2S)-2-amino-3-propanoyloxypropanoic acid

C6H11NO4 — CID 56621340

IUPAC(2S)-2-amino-3-propanoyloxypropanoic acid
SMILESCCC(=O)OC[C@H](N)C(=O)O
InChIInChI=1S/C6H11NO4/c1-2-5(8)11-3-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1
InChIKeySOWJJKAOEWCCAX-BYPYZUCNSA-N
MW161.16 g/mol
LogP-0.65
Rot. Bonds4

About (2S)-2-amino-3-propanoyloxypropanoic acid

(2S)-2-amino-3-propanoyloxypropanoic acid (PubChem CID 56621340) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (2S)-2-amino-3-propanoyloxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-propanoyloxypropanoic acid
PubChem CID56621340
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(2S)-2-amino-3-propanoyloxypropanoic acid
SMILESCCC(=O)OC[C@H](N)C(=O)O
InChIInChI=1S/C6H11NO4/c1-2-5(8)11-3-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1
InChIKeySOWJJKAOEWCCAX-BYPYZUCNSA-N
XLogP-0.65
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
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 ≤ 104

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Related Compounds

(2S)-2-amino-3-(2-hydroxyacetyl)oxypropanoic acid
CID 45122522
(2S)-2-amino-3-(3-oxobutanoyloxy)propanoic acid
CID 14218610
(2S)-2-amino-3-[(3R)-3-amino-3-hydroxypropanoyl]oxypropanoic acid
CID 91534703
(2S)-2-amino-3-octadecanoyloxypropanoic acid
CID 140580797
(2S)-3-acetyloxy-2-aminopropanoic acid
CID 88545588
(2-methyl-3-oxobutyl) propanoate
CID 87670763
(2S)-2-amino-3-(2-propylpentanoyloxy)propanoic acid
CID 58732233
2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
CID 177139504
2-[(2S)-2-amino-2-carboxyethoxy]-2-oxoethanediazonium
CID 44563367
(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid
CID 118658592
2-amino-3-(2-methoxyethoxy)propanoic acid
CID 20596399
[(2S)-2-amino-3-oxopentyl] 2-aminoacetate
CID 162175128

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-propanoyloxypropanoic acid?
The IUPAC name of (2S)-2-amino-3-propanoyloxypropanoic acid (CID 56621340) is (2S)-2-amino-3-propanoyloxypropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-propanoyloxypropanoic acid?
The canonical SMILES for (2S)-2-amino-3-propanoyloxypropanoic acid is CCC(=O)OC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-propanoyloxypropanoic acid?
The InChIKey is SOWJJKAOEWCCAX-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11NO4/c1-2-5(8)11-3-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-3-propanoyloxypropanoic acid?
(2S)-2-amino-3-propanoyloxypropanoic acid has a molecular weight of 161.16 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-propanoyloxypropanoic acid is sourced from PubChem (CID 56621340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).