(2S)-2-(carboxymethylamino)-3-hydroxypropanoic acid

C5H9NO5 — CID 21144889

IUPAC(2S)-2-(carboxymethylamino)-3-hydroxypropanoic acid
SMILESO=C(O)CN[C@@H](CO)C(=O)O
InChIInChI=1S/C5H9NO5/c7-2-3(5(10)11)6-1-4(8)9/h3,6-7H,1-2H2,(H,8,9)(H,10,11)/t3-/m0/s1
InChIKeyNAALTSITEQTADZ-VKHMYHEASA-N
MW163.13 g/mol
LogP-1.89
Rot. Bonds5

About (2S)-2-(carboxymethylamino)-3-hydroxypropanoic acid

(2S)-2-(carboxymethylamino)-3-hydroxypropanoic acid (PubChem CID 21144889) has the molecular formula C5H9NO5 and a molecular weight of 163.13 g/mol. Its IUPAC name is (2S)-2-(carboxymethylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-(carboxymethylamino)-3-hydroxypropanoic acid
PubChem CID21144889
Molecular FormulaC5H9NO5
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Name(2S)-2-(carboxymethylamino)-3-hydroxypropanoic acid
SMILESO=C(O)CN[C@@H](CO)C(=O)O
InChIInChI=1S/C5H9NO5/c7-2-3(5(10)11)6-1-4(8)9/h3,6-7H,1-2H2,(H,8,9)(H,10,11)/t3-/m0/s1
InChIKeyNAALTSITEQTADZ-VKHMYHEASA-N
XLogP-1.89
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-1.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carboxymethylamino)-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-(carboxymethylamino)-3-hydroxypropanoic acid (CID 21144889) is (2S)-2-(carboxymethylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-(carboxymethylamino)-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-(carboxymethylamino)-3-hydroxypropanoic acid is O=C(O)CN[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-(carboxymethylamino)-3-hydroxypropanoic acid?
The InChIKey is NAALTSITEQTADZ-VKHMYHEASA-N. The full InChI is InChI=1S/C5H9NO5/c7-2-3(5(10)11)6-1-4(8)9/h3,6-7H,1-2H2,(H,8,9)(H,10,11)/t3-/m0/s1.
What are the key properties of (2S)-2-(carboxymethylamino)-3-hydroxypropanoic acid?
(2S)-2-(carboxymethylamino)-3-hydroxypropanoic acid has a molecular weight of 163.13 g/mol, XLogP of -1.89, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carboxymethylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 21144889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).