propan-2-yl (2S)-2-aminopropanoate

C6H13NO2 — CID 13089460

IUPACpropan-2-yl (2S)-2-aminopropanoate
SMILESCC(C)OC(=O)[C@H](C)N
InChIInChI=1S/C6H13NO2/c1-4(2)9-6(8)5(3)7/h4-5H,7H2,1-3H3/t5-/m0/s1
InChIKeyQDQVXVRZVCTVHE-YFKPBYRVSA-N
MW131.17 g/mol
LogP0.29
Rot. Bonds2

About propan-2-yl (2S)-2-aminopropanoate

propan-2-yl (2S)-2-aminopropanoate (PubChem CID 13089460) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is propan-2-yl (2S)-2-aminopropanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-aminopropanoate
PubChem CID13089460
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Namepropan-2-yl (2S)-2-aminopropanoate
SMILESCC(C)OC(=O)[C@H](C)N
InChIInChI=1S/C6H13NO2/c1-4(2)9-6(8)5(3)7/h4-5H,7H2,1-3H3/t5-/m0/s1
InChIKeyQDQVXVRZVCTVHE-YFKPBYRVSA-N
XLogP0.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-aminopropanoate
CID 11804791
hydron;propan-2-yl (2S)-2-aminopropanoate;chloride
CID 173116569
CID 145193222
CID 145193222
1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-aminopropanoate;hydrochloride
CID 141398167
dipropan-2-yl 2-aminopropanedioate
CID 141226348
propan-2-yl (2R)-3-amino-2-methylbutanoate
CID 154999103
propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate
CID 93251792
propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride
CID 122539225
[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate
CID 54111393
propan-2-amine;propan-2-yl hydrogen carbonate
CID 173023636
1-trimethylsilylethyl (2R)-2-aminopropanoate
CID 87632217
butan-2-yl (2R)-2-aminopropanoate
CID 45086644

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-aminopropanoate?
The IUPAC name of propan-2-yl (2S)-2-aminopropanoate (CID 13089460) is propan-2-yl (2S)-2-aminopropanoate.
What is the SMILES notation for propan-2-yl (2S)-2-aminopropanoate?
The canonical SMILES for propan-2-yl (2S)-2-aminopropanoate is CC(C)OC(=O)[C@H](C)N.
What is the InChIKey of propan-2-yl (2S)-2-aminopropanoate?
The InChIKey is QDQVXVRZVCTVHE-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4(2)9-6(8)5(3)7/h4-5H,7H2,1-3H3/t5-/m0/s1.
What are the key properties of propan-2-yl (2S)-2-aminopropanoate?
propan-2-yl (2S)-2-aminopropanoate has a molecular weight of 131.17 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-aminopropanoate is sourced from PubChem (CID 13089460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).