(2S)-2-aminopropanoate

C3H6NO2- — CID 5460980

IUPAC(2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)[O-]
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p-1/t2-/m0/s1
InChIKeyQNAYBMKLOCPYGJ-REOHCLBHSA-M
MW88.09 g/mol
LogP-1.92
Rot. Bonds1

About (2S)-2-aminopropanoate

(2S)-2-aminopropanoate (PubChem CID 5460980) has the molecular formula C3H6NO2- and a molecular weight of 88.09 g/mol. Its IUPAC name is (2S)-2-aminopropanoate.

Molecular Properties

Compound Name(2S)-2-aminopropanoate
PubChem CID5460980
Molecular FormulaC3H6NO2-
Molecular Weight88.09 g/mol
Exact Mass88.04
IUPAC Name(2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)[O-]
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p-1/t2-/m0/s1
InChIKeyQNAYBMKLOCPYGJ-REOHCLBHSA-M
XLogP-1.92
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.09
LogP ≤ 5-1.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis((2S)-2-aminopropanoate);palladium(2+)
CID 86639208
potassium 2-aminopropanoate
CID 21339510
calcium;bis((2S)-2-aminopropanoate);pentahydrate
CID 176654568
2-aminopropanoate;hydron;hydrochloride
CID 173141944
2-aminopropanoate;carbon dioxide
CID 160850245
2-aminopropanoate;carbon monoxide;ruthenium(2+);chloride
CID 10267295
disodium;2-aminopropanoate;methane;molecular hydrogen;2-oxopropanoate
CID 158115198
2-amino-3-methylbutanoate
CID 5460778
sodium;2-aminopropanoic acid;acetate
CID 159185216
bismuth tris(2-amino-3-methylbutanoate)
CID 173224363
calcium bis(2-methylpropanoate)
CID 102602609
(2S)-2-aminopropanoic acid
CID 18446182

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanoate?
The IUPAC name of (2S)-2-aminopropanoate (CID 5460980) is (2S)-2-aminopropanoate.
What is the SMILES notation for (2S)-2-aminopropanoate?
The canonical SMILES for (2S)-2-aminopropanoate is C[C@H](N)C(=O)[O-].
What is the InChIKey of (2S)-2-aminopropanoate?
The InChIKey is QNAYBMKLOCPYGJ-REOHCLBHSA-M. The full InChI is InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p-1/t2-/m0/s1.
What are the key properties of (2S)-2-aminopropanoate?
(2S)-2-aminopropanoate has a molecular weight of 88.09 g/mol, XLogP of -1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanoate is sourced from PubChem (CID 5460980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).