2-aminoethyl 2,3-diaminobutanoate

C6H15N3O2 — CID 123886394

IUPAC2-aminoethyl 2,3-diaminobutanoate
SMILESCC(N)C(N)C(=O)OCCN
InChIInChI=1S/C6H15N3O2/c1-4(8)5(9)6(10)11-3-2-7/h4-5H,2-3,7-9H2,1H3
InChIKeyGNCBELFPJWAAHW-UHFFFAOYSA-N
MW161.20 g/mol
LogP-1.84
Rot. Bonds4

About 2-aminoethyl 2,3-diaminobutanoate

2-aminoethyl 2,3-diaminobutanoate (PubChem CID 123886394) has the molecular formula C6H15N3O2 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-aminoethyl 2,3-diaminobutanoate.

Molecular Properties

Compound Name2-aminoethyl 2,3-diaminobutanoate
PubChem CID123886394
Molecular FormulaC6H15N3O2
Molecular Weight161.20 g/mol
Exact Mass161.12
IUPAC Name2-aminoethyl 2,3-diaminobutanoate
SMILESCC(N)C(N)C(=O)OCCN
InChIInChI=1S/C6H15N3O2/c1-4(8)5(9)6(10)11-3-2-7/h4-5H,2-3,7-9H2,1H3
InChIKeyGNCBELFPJWAAHW-UHFFFAOYSA-N
XLogP-1.84
TPSA104.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-aminoethyl 2-methylpropanoate;butyl 2-methylpropanoate
CID 159728832
5-hydroxypentyl (2R)-2-amino-3-methylbutanoate
CID 87078511
2-methoxyethyl 2-amino-3-hydroxybutanoate
CID 61279925
3-aminopropyl 2-methylpropanoate
CID 59078098
pentyl (2S)-2-amino-3-methylbutanoate
CID 61302518
3-methylbutyl (2S)-2-amino-3-methylpentanoate
CID 61279066
3-iodopropyl (2R)-2-amino-3-methylbutanoate
CID 90070653
2-ethoxyethyl 2-amino-3-methylbutanoate
CID 61276999
2-(methylamino)ethyl 2-amino-3-methylbutanoate
CID 72523693
2-fluoroethyl 2-sulfanylpropanoate
CID 154185031
sodium;hydride;2-hydroxyethyl (2S)-2-aminopropanoate
CID 174523367
2-aminoethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91323049

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 2,3-diaminobutanoate?
The IUPAC name of 2-aminoethyl 2,3-diaminobutanoate (CID 123886394) is 2-aminoethyl 2,3-diaminobutanoate.
What is the SMILES notation for 2-aminoethyl 2,3-diaminobutanoate?
The canonical SMILES for 2-aminoethyl 2,3-diaminobutanoate is CC(N)C(N)C(=O)OCCN.
What is the InChIKey of 2-aminoethyl 2,3-diaminobutanoate?
The InChIKey is GNCBELFPJWAAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2/c1-4(8)5(9)6(10)11-3-2-7/h4-5H,2-3,7-9H2,1H3.
What are the key properties of 2-aminoethyl 2,3-diaminobutanoate?
2-aminoethyl 2,3-diaminobutanoate has a molecular weight of 161.20 g/mol, XLogP of -1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 2,3-diaminobutanoate is sourced from PubChem (CID 123886394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).