(2S)-2-(2-aminoethoxy)-3-(1H-imidazol-5-yl)propanoic acid

C8H13N3O3 — CID 10285867

IUPAC(2S)-2-(2-aminoethoxy)-3-(1H-imidazol-5-yl)propanoic acid
SMILESNCCO[C@@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C8H13N3O3/c9-1-2-14-7(8(12)13)3-6-4-10-5-11-6/h4-5,7H,1-3,9H2,(H,10,11)(H,12,13)/t7-/m0/s1
InChIKeyLGGSGJJWBHFYEW-ZETCQYMHSA-N
MW199.21 g/mol
LogP-0.62
Rot. Bonds6

About (2S)-2-(2-aminoethoxy)-3-(1H-imidazol-5-yl)propanoic acid

(2S)-2-(2-aminoethoxy)-3-(1H-imidazol-5-yl)propanoic acid (PubChem CID 10285867) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is (2S)-2-(2-aminoethoxy)-3-(1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-aminoethoxy)-3-(1H-imidazol-5-yl)propanoic acid
PubChem CID10285867
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name(2S)-2-(2-aminoethoxy)-3-(1H-imidazol-5-yl)propanoic acid
SMILESNCCO[C@@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C8H13N3O3/c9-1-2-14-7(8(12)13)3-6-4-10-5-11-6/h4-5,7H,1-3,9H2,(H,10,11)(H,12,13)/t7-/m0/s1
InChIKeyLGGSGJJWBHFYEW-ZETCQYMHSA-N
XLogP-0.62
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-aminoethoxy)-3-(1H-imidazol-5-yl)propanoic acid?
The IUPAC name of (2S)-2-(2-aminoethoxy)-3-(1H-imidazol-5-yl)propanoic acid (CID 10285867) is (2S)-2-(2-aminoethoxy)-3-(1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(2-aminoethoxy)-3-(1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for (2S)-2-(2-aminoethoxy)-3-(1H-imidazol-5-yl)propanoic acid is NCCO[C@@H](Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of (2S)-2-(2-aminoethoxy)-3-(1H-imidazol-5-yl)propanoic acid?
The InChIKey is LGGSGJJWBHFYEW-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13N3O3/c9-1-2-14-7(8(12)13)3-6-4-10-5-11-6/h4-5,7H,1-3,9H2,(H,10,11)(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-(2-aminoethoxy)-3-(1H-imidazol-5-yl)propanoic acid?
(2S)-2-(2-aminoethoxy)-3-(1H-imidazol-5-yl)propanoic acid has a molecular weight of 199.21 g/mol, XLogP of -0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-aminoethoxy)-3-(1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 10285867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).