2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]acetate

C5H10N2O4 — CID 7009643

IUPAC2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]acetate
SMILES[NH3+][C@@H](CO)C(=O)NCC(=O)[O-]
InChIInChI=1S/C5H10N2O4/c6-3(2-8)5(11)7-1-4(9)10/h3,8H,1-2,6H2,(H,7,11)(H,9,10)/t3-/m0/s1
InChIKeyWOUIMBGNEUWXQG-VKHMYHEASA-N
MW162.14 g/mol
LogP-4.54
Rot. Bonds4

About 2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]acetate

2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]acetate (PubChem CID 7009643) has the molecular formula C5H10N2O4 and a molecular weight of 162.14 g/mol. Its IUPAC name is 2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]acetate.

Molecular Properties

Compound Name2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]acetate
PubChem CID7009643
Molecular FormulaC5H10N2O4
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]acetate
SMILES[NH3+][C@@H](CO)C(=O)NCC(=O)[O-]
InChIInChI=1S/C5H10N2O4/c6-3(2-8)5(11)7-1-4(9)10/h3,8H,1-2,6H2,(H,7,11)(H,9,10)/t3-/m0/s1
InChIKeyWOUIMBGNEUWXQG-VKHMYHEASA-N
XLogP-4.54
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-4.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

L-Alanyl-L-alanine
CID 5484352
D-Alanyl-D-Alanine
CID 5460362
Acetylserine
CID 65249
Oxalyldiaminopropionic acid
CID 2360
L-Serylglycine
CID 7009644
Ala-Ser
CID 1549433
Glycylserine
CID 102466
Alanylthreonine
CID 6427004
N-Acetyl-DL-serine
CID 352294
N-(2-Amino-1-hydroxyethylidene)threonine
CID 351980
Ser-Val
CID 7020159
Serine, glycyl-
CID 73086

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]acetate?
The IUPAC name of 2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]acetate (CID 7009643) is 2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]acetate.
What is the SMILES notation for 2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]acetate?
The canonical SMILES for 2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]acetate is [NH3+][C@@H](CO)C(=O)NCC(=O)[O-].
What is the InChIKey of 2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]acetate?
The InChIKey is WOUIMBGNEUWXQG-VKHMYHEASA-N. The full InChI is InChI=1S/C5H10N2O4/c6-3(2-8)5(11)7-1-4(9)10/h3,8H,1-2,6H2,(H,7,11)(H,9,10)/t3-/m0/s1.
What are the key properties of 2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]acetate?
2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]acetate has a molecular weight of 162.14 g/mol, XLogP of -4.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]acetate is sourced from PubChem (CID 7009643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).