4-(1H-imidazol-2-yl)butanoic acid;hydrochloride

C7H11ClN2O2 — CID 53230925

IUPAC4-(1H-imidazol-2-yl)butanoic acid;hydrochloride
SMILESCl.O=C(O)CCCc1ncc[nH]1
InChIInChI=1S/C7H10N2O2.ClH/c10-7(11)3-1-2-6-8-4-5-9-6;/h4-5H,1-3H2,(H,8,9)(H,10,11);1H
InChIKeyTUYDBZSCVYTDGK-UHFFFAOYSA-N
MW190.63 g/mol
LogP1.24
Rot. Bonds4

About 4-(1H-imidazol-2-yl)butanoic acid;hydrochloride

4-(1H-imidazol-2-yl)butanoic acid;hydrochloride (PubChem CID 53230925) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)butanoic acid;hydrochloride.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)butanoic acid;hydrochloride
PubChem CID53230925
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Name4-(1H-imidazol-2-yl)butanoic acid;hydrochloride
SMILESCl.O=C(O)CCCc1ncc[nH]1
InChIInChI=1S/C7H10N2O2.ClH/c10-7(11)3-1-2-6-8-4-5-9-6;/h4-5H,1-3H2,(H,8,9)(H,10,11);1H
InChIKeyTUYDBZSCVYTDGK-UHFFFAOYSA-N
XLogP1.24
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-Imidazol-2-yl)propanoic acid
CID 18320517
5-(1H-Imidazol-1-yl)pentanoic acid hydrochloride
CID 45259324
5-(1H-imidazol-1-yl)pentanoic acid
CID 12803313
3-(1H-imidazol-2-yl)propanoic acid hydrochloride
CID 50998247
2-(1H-imidazol-2-yl)acetic acid hydrochloride
CID 53230924
Imidazole-2-acetic acid
CID 17935379
12-Imidazolyldodecanoic acid
CID 454103
(S)-2-amino-5-(imidazol-2-ylamino)pentanoic acid
CID 46237587
US9144538, Glutamylamidoethyl
CID 90332294
3-Imidazolyl-L-alanine
CID 11955442
9-(1H-imidazol-2-yl)nonanoic acid
CID 454104
7-(1H-imidazol-2-yl)heptanoic acid;hydrochloride
CID 12870348

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)butanoic acid;hydrochloride?
The IUPAC name of 4-(1H-imidazol-2-yl)butanoic acid;hydrochloride (CID 53230925) is 4-(1H-imidazol-2-yl)butanoic acid;hydrochloride.
What is the SMILES notation for 4-(1H-imidazol-2-yl)butanoic acid;hydrochloride?
The canonical SMILES for 4-(1H-imidazol-2-yl)butanoic acid;hydrochloride is Cl.O=C(O)CCCc1ncc[nH]1.
What is the InChIKey of 4-(1H-imidazol-2-yl)butanoic acid;hydrochloride?
The InChIKey is TUYDBZSCVYTDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.ClH/c10-7(11)3-1-2-6-8-4-5-9-6;/h4-5H,1-3H2,(H,8,9)(H,10,11);1H.
What are the key properties of 4-(1H-imidazol-2-yl)butanoic acid;hydrochloride?
4-(1H-imidazol-2-yl)butanoic acid;hydrochloride has a molecular weight of 190.63 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)butanoic acid;hydrochloride is sourced from PubChem (CID 53230925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).