propan-2-yl 2-aminopropanoate

C6H13NO2 — CID 11804791

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

About propan-2-yl 2-aminopropanoate

propan-2-yl 2-aminopropanoate (PubChem CID 11804791) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is propan-2-yl 2-aminopropanoate.

Molecular Properties

Compound Namepropan-2-yl 2-aminopropanoate
PubChem CID11804791
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Namepropan-2-yl 2-aminopropanoate
SMILESCC(C)OC(=O)C(C)N
InChIInChI=1S/C6H13NO2/c1-4(2)9-6(8)5(3)7/h4-5H,7H2,1-3H3
InChIKeyQDQVXVRZVCTVHE-UHFFFAOYSA-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

(2S)-3-acetoxy-2-ammoniopropanoate
CID 6971051
Alanine, ethyl ester, hydrochloride (1:1)
CID 102560
CID 25245438
CID 25245438
Alanine methyl ester hydrochloride
CID 2733257
Alanine, methyl ester, hydrochloride (1:1)
CID 2756298
L-Alanine methyl ester
CID 82335
tert-butyl (2R)-2-aminopropanoate
CID 7359212
Methyl D-alaninate hydrochloride
CID 11182647
(2R)-2-{[(2R)-2-ammoniopropanoyl]oxy}propanoate
CID 46173481
NoName_3047
CID 69236
L-Alanine 1,1-dimethylethyl ester
CID 89016
DL-Alanine methyl ester
CID 111314

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-aminopropanoate?
The IUPAC name of propan-2-yl 2-aminopropanoate (CID 11804791) is propan-2-yl 2-aminopropanoate.
What is the SMILES notation for propan-2-yl 2-aminopropanoate?
The canonical SMILES for propan-2-yl 2-aminopropanoate is CC(C)OC(=O)C(C)N.
What is the InChIKey of propan-2-yl 2-aminopropanoate?
The InChIKey is QDQVXVRZVCTVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4(2)9-6(8)5(3)7/h4-5H,7H2,1-3H3.
What are the key properties of propan-2-yl 2-aminopropanoate?
propan-2-yl 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 2-aminopropanoate is sourced from PubChem (CID 11804791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).