propan-2-yl 2,3-diaminopropanoate

C6H14N2O2 — CID 141295176

IUPACpropan-2-yl 2,3-diaminopropanoate
SMILESCC(C)OC(=O)C(N)CN
InChIInChI=1S/C6H14N2O2/c1-4(2)10-6(9)5(8)3-7/h4-5H,3,7-8H2,1-2H3
InChIKeyPOZYLQFIDNCYGE-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.78
Rot. Bonds3

About propan-2-yl 2,3-diaminopropanoate

propan-2-yl 2,3-diaminopropanoate (PubChem CID 141295176) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is propan-2-yl 2,3-diaminopropanoate.

Molecular Properties

Compound Namepropan-2-yl 2,3-diaminopropanoate
PubChem CID141295176
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Namepropan-2-yl 2,3-diaminopropanoate
SMILESCC(C)OC(=O)C(N)CN
InChIInChI=1S/C6H14N2O2/c1-4(2)10-6(9)5(8)3-7/h4-5H,3,7-8H2,1-2H3
InChIKeyPOZYLQFIDNCYGE-UHFFFAOYSA-N
XLogP-0.78
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl (2S)-3-amino-2-methylpropanoate
CID 94542950
propan-2-yl 2-amino-3-propan-2-ylsulfanylpropanoate
CID 146692452
propan-2-yl (2S)-2-amino-3-(methylamino)propanoate;hydrochloride
CID 154776096
propan-2-yl (2S)-2-aminopropanoate
CID 13089460
propan-2-yl 2-aminopropanoate
CID 11804791
dipropan-2-yl 2-aminopropanedioate
CID 141226348
5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate
CID 89267661
propan-2-yl (2S)-2-amino-4-methylselanylbutanoate;hydrochloride
CID 15952503
propan-2-yl (2R)-3-amino-2-methylbutanoate
CID 154999103
hydron;propan-2-yl (2S)-2-aminopropanoate;chloride
CID 173116569
propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate
CID 93251792
propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride
CID 122539225

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2,3-diaminopropanoate?
The IUPAC name of propan-2-yl 2,3-diaminopropanoate (CID 141295176) is propan-2-yl 2,3-diaminopropanoate.
What is the SMILES notation for propan-2-yl 2,3-diaminopropanoate?
The canonical SMILES for propan-2-yl 2,3-diaminopropanoate is CC(C)OC(=O)C(N)CN.
What is the InChIKey of propan-2-yl 2,3-diaminopropanoate?
The InChIKey is POZYLQFIDNCYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-4(2)10-6(9)5(8)3-7/h4-5H,3,7-8H2,1-2H3.
What are the key properties of propan-2-yl 2,3-diaminopropanoate?
propan-2-yl 2,3-diaminopropanoate has a molecular weight of 146.19 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,3-diaminopropanoate is sourced from PubChem (CID 141295176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).