cis-(1R,2S)-2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride

C15H19ClN4O2 — CID 71184123

IUPACcis-(1R,2S)-2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.NCCC[C@H]1C[C@]1(C(=O)O)c1cn(-c2ccncc2)cn1
InChIInChI=1S/C15H18N4O2.ClH/c16-5-1-2-11-8-15(11,14(20)21)13-9-19(10-18-13)12-3-6-17-7-4-12;/h3-4,6-7,9-11H,1-2,5,8,16H2,(H,20,21);1H/t11-,15+;/m0./s1
InChIKeyUQVYTPQXQQZQKQ-OTKFKWBMSA-N
MW322.80 g/mol
LogP1.77
Rot. Bonds6

About cis-(1R,2S)-2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride

cis-(1R,2S)-2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 71184123) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2S)-2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride
PubChem CID71184123
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Namecis-(1R,2S)-2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.NCCC[C@H]1C[C@]1(C(=O)O)c1cn(-c2ccncc2)cn1
InChIInChI=1S/C15H18N4O2.ClH/c16-5-1-2-11-8-15(11,14(20)21)13-9-19(10-18-13)12-3-6-17-7-4-12;/h3-4,6-7,9-11H,1-2,5,8,16H2,(H,20,21);1H/t11-,15+;/m0./s1
InChIKeyUQVYTPQXQQZQKQ-OTKFKWBMSA-N
XLogP1.77
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride?
The IUPAC name of cis-(1R,2S)-2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride (CID 71184123) is cis-(1R,2S)-2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for cis-(1R,2S)-2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride?
The canonical SMILES for cis-(1R,2S)-2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride is Cl.NCCC[C@H]1C[C@]1(C(=O)O)c1cn(-c2ccncc2)cn1.
What is the InChIKey of cis-(1R,2S)-2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride?
The InChIKey is UQVYTPQXQQZQKQ-OTKFKWBMSA-N. The full InChI is InChI=1S/C15H18N4O2.ClH/c16-5-1-2-11-8-15(11,14(20)21)13-9-19(10-18-13)12-3-6-17-7-4-12;/h3-4,6-7,9-11H,1-2,5,8,16H2,(H,20,21);1H/t11-,15+;/m0./s1.
What are the key properties of cis-(1R,2S)-2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride?
cis-(1R,2S)-2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 322.80 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 71184123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).