(2S)-2-amino-3-[(3R)-3-amino-3-hydroxypropanoyl]oxypropanoic acid

C6H12N2O5 — CID 91534703

IUPAC(2S)-2-amino-3-[(3R)-3-amino-3-hydroxypropanoyl]oxypropanoic acid
SMILESN[C@H](O)CC(=O)OC[C@H](N)C(=O)O
InChIInChI=1S/C6H12N2O5/c7-3(6(11)12)2-13-5(10)1-4(8)9/h3-4,9H,1-2,7-8H2,(H,11,12)/t3-,4+/m0/s1
InChIKeySYXRWEJLCMBIIH-IUYQGCFVSA-N
MW192.17 g/mol
LogP-2.39
Rot. Bonds5

About (2S)-2-amino-3-[(3R)-3-amino-3-hydroxypropanoyl]oxypropanoic acid

(2S)-2-amino-3-[(3R)-3-amino-3-hydroxypropanoyl]oxypropanoic acid (PubChem CID 91534703) has the molecular formula C6H12N2O5 and a molecular weight of 192.17 g/mol. Its IUPAC name is (2S)-2-amino-3-[(3R)-3-amino-3-hydroxypropanoyl]oxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[(3R)-3-amino-3-hydroxypropanoyl]oxypropanoic acid
PubChem CID91534703
Molecular FormulaC6H12N2O5
Molecular Weight192.17 g/mol
Exact Mass192.07
IUPAC Name(2S)-2-amino-3-[(3R)-3-amino-3-hydroxypropanoyl]oxypropanoic acid
SMILESN[C@H](O)CC(=O)OC[C@H](N)C(=O)O
InChIInChI=1S/C6H12N2O5/c7-3(6(11)12)2-13-5(10)1-4(8)9/h3-4,9H,1-2,7-8H2,(H,11,12)/t3-,4+/m0/s1
InChIKeySYXRWEJLCMBIIH-IUYQGCFVSA-N
XLogP-2.39
TPSA135.87 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-2.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-(2-hydroxyacetyl)oxypropanoic acid
CID 45122522
(2S)-2-amino-3-propanoyloxypropanoic acid
CID 56621340
(2S)-2-amino-3-(3-oxobutanoyloxy)propanoic acid
CID 14218610
2-[(2S)-2-amino-2-carboxyethoxy]-2-oxoethanediazonium
CID 44563367
(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid
CID 118658592
(2S)-3-acetyloxy-2-aminopropanoic acid
CID 88545588
2-amino-3-(2-aminoacetyl)oxypropanoic acid;sulfo hydrogen sulfate
CID 158750704
(2S)-2-amino-3-octadecanoyloxypropanoic acid
CID 140580797
(2R)-2-amino-3-[(2R)-2-amino-3-sulfanylpropanoyl]oxypropanoic acid
CID 87672799
methyl 3-amino-3-hydroxypropanoate;hydrochloride
CID 87417987
2-amino-3-(2-carboxyethoxy)propanoic acid
CID 138683261
2-amino-3-(2-methoxyethoxy)propanoic acid
CID 20596399

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(3R)-3-amino-3-hydroxypropanoyl]oxypropanoic acid?
The IUPAC name of (2S)-2-amino-3-[(3R)-3-amino-3-hydroxypropanoyl]oxypropanoic acid (CID 91534703) is (2S)-2-amino-3-[(3R)-3-amino-3-hydroxypropanoyl]oxypropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[(3R)-3-amino-3-hydroxypropanoyl]oxypropanoic acid?
The canonical SMILES for (2S)-2-amino-3-[(3R)-3-amino-3-hydroxypropanoyl]oxypropanoic acid is N[C@H](O)CC(=O)OC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[(3R)-3-amino-3-hydroxypropanoyl]oxypropanoic acid?
The InChIKey is SYXRWEJLCMBIIH-IUYQGCFVSA-N. The full InChI is InChI=1S/C6H12N2O5/c7-3(6(11)12)2-13-5(10)1-4(8)9/h3-4,9H,1-2,7-8H2,(H,11,12)/t3-,4+/m0/s1.
What are the key properties of (2S)-2-amino-3-[(3R)-3-amino-3-hydroxypropanoyl]oxypropanoic acid?
(2S)-2-amino-3-[(3R)-3-amino-3-hydroxypropanoyl]oxypropanoic acid has a molecular weight of 192.17 g/mol, XLogP of -2.39, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(3R)-3-amino-3-hydroxypropanoyl]oxypropanoic acid is sourced from PubChem (CID 91534703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).