(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid

C6H12N2O5 — CID 118658592

IUPAC(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid
SMILESN[C@H](COC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C6H12N2O5/c7-3(5(9)10)1-13-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4+
InChIKeyKHWNEMYTFXMKRC-ZXZARUISSA-N
MW192.17 g/mol
LogP-2.17
Rot. Bonds6

About (2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid

(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid (PubChem CID 118658592) has the molecular formula C6H12N2O5 and a molecular weight of 192.17 g/mol. Its IUPAC name is (2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid
PubChem CID118658592
Molecular FormulaC6H12N2O5
Molecular Weight192.17 g/mol
Exact Mass192.07
IUPAC Name(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid
SMILESN[C@H](COC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C6H12N2O5/c7-3(5(9)10)1-13-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4+
InChIKeyKHWNEMYTFXMKRC-ZXZARUISSA-N
XLogP-2.17
TPSA135.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-2.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-3-(carboxymethoxy)propanoic acid
CID 87968783
(2S)-3-acetyloxy-2-aminopropanoic acid
CID 88545588
2-amino-3-(2-carboxyethoxy)propanoic acid
CID 138683261
2-amino-3-(2-methoxyethoxy)propanoic acid
CID 20596399
2-amino-3-(2-methylpentoxy)propanoic acid
CID 103282764
2-amino-3-(3-aminopropoxy)propanoic acid
CID 18674791
2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
CID 177139504
(2S,7R)-7-amino-2-[[(2R)-2-amino-2-carboxyethoxy]methyl]-4-oxooctanedioic acid
CID 152913478
(2S)-2-amino-3-[2-(carbamoylamino)ethoxy]propanoic acid
CID 121421901
2-amino-3-decoxypropanoic acid
CID 134329186
(2S)-2-amino-3-phosphorosooxypropanoic acid
CID 57139135
(2S)-2-amino-3-(2-hydroxyacetyl)oxypropanoic acid
CID 45122522

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid (CID 118658592) is (2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid is N[C@H](COC[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid?
The InChIKey is KHWNEMYTFXMKRC-ZXZARUISSA-N. The full InChI is InChI=1S/C6H12N2O5/c7-3(5(9)10)1-13-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4+.
What are the key properties of (2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid?
(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid has a molecular weight of 192.17 g/mol, XLogP of -2.17, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid is sourced from PubChem (CID 118658592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).