(2S)-2-(2-aminoethylamino)-3-(1-propylimidazol-4-yl)propanoic acid

C11H20N4O2 — CID 11149158

IUPAC(2S)-2-(2-aminoethylamino)-3-(1-propylimidazol-4-yl)propanoic acid
SMILESCCCn1cnc(C[C@H](NCCN)C(=O)O)c1
InChIInChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyUVTMXVBQOPVNHA-JTQLQIEISA-N
MW240.31 g/mol
LogP-0.16
Rot. Bonds8

About (2S)-2-(2-aminoethylamino)-3-(1-propylimidazol-4-yl)propanoic acid

(2S)-2-(2-aminoethylamino)-3-(1-propylimidazol-4-yl)propanoic acid (PubChem CID 11149158) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is (2S)-2-(2-aminoethylamino)-3-(1-propylimidazol-4-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-aminoethylamino)-3-(1-propylimidazol-4-yl)propanoic acid
PubChem CID11149158
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name(2S)-2-(2-aminoethylamino)-3-(1-propylimidazol-4-yl)propanoic acid
SMILESCCCn1cnc(C[C@H](NCCN)C(=O)O)c1
InChIInChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyUVTMXVBQOPVNHA-JTQLQIEISA-N
XLogP-0.16
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-aminoethylamino)-3-(1-propylimidazol-4-yl)propanoic acid?
The IUPAC name of (2S)-2-(2-aminoethylamino)-3-(1-propylimidazol-4-yl)propanoic acid (CID 11149158) is (2S)-2-(2-aminoethylamino)-3-(1-propylimidazol-4-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(2-aminoethylamino)-3-(1-propylimidazol-4-yl)propanoic acid?
The canonical SMILES for (2S)-2-(2-aminoethylamino)-3-(1-propylimidazol-4-yl)propanoic acid is CCCn1cnc(C[C@H](NCCN)C(=O)O)c1.
What is the InChIKey of (2S)-2-(2-aminoethylamino)-3-(1-propylimidazol-4-yl)propanoic acid?
The InChIKey is UVTMXVBQOPVNHA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-(2-aminoethylamino)-3-(1-propylimidazol-4-yl)propanoic acid?
(2S)-2-(2-aminoethylamino)-3-(1-propylimidazol-4-yl)propanoic acid has a molecular weight of 240.31 g/mol, XLogP of -0.16, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-aminoethylamino)-3-(1-propylimidazol-4-yl)propanoic acid is sourced from PubChem (CID 11149158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).