(2S,4S)-4-(4-cyclopentyltriazol-1-yl)pyrrolidine-2-carboxylic acid;hydrochloride

C12H19ClN4O2 — CID 154924751

IUPAC(2S,4S)-4-(4-cyclopentyltriazol-1-yl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@H](n2cc(C3CCCC3)nn2)CN1
InChIInChI=1S/C12H18N4O2.ClH/c17-12(18)10-5-9(6-13-10)16-7-11(14-15-16)8-3-1-2-4-8;/h7-10,13H,1-6H2,(H,17,18);1H/t9-,10-;/m0./s1
InChIKeyCOTDNJNIUAAISV-IYPAPVHQSA-N
MW286.76 g/mol
LogP1.35
Rot. Bonds3

About (2S,4S)-4-(4-cyclopentyltriazol-1-yl)pyrrolidine-2-carboxylic acid;hydrochloride

(2S,4S)-4-(4-cyclopentyltriazol-1-yl)pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 154924751) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is (2S,4S)-4-(4-cyclopentyltriazol-1-yl)pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-4-(4-cyclopentyltriazol-1-yl)pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID154924751
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name(2S,4S)-4-(4-cyclopentyltriazol-1-yl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@H](n2cc(C3CCCC3)nn2)CN1
InChIInChI=1S/C12H18N4O2.ClH/c17-12(18)10-5-9(6-13-10)16-7-11(14-15-16)8-3-1-2-4-8;/h7-10,13H,1-6H2,(H,17,18);1H/t9-,10-;/m0./s1
InChIKeyCOTDNJNIUAAISV-IYPAPVHQSA-N
XLogP1.35
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-2-amino-3-(1-(carboxymethyl)-1H-1,2,3-triazol-4-yl)propanoic acid
CID 52941387
(2S,3R,4R)-4-[4-(2-carboxyethyl)triazol-1-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 177641273
(2S,3R,4R)-3-(carboxymethyl)-4-[5-(3-carboxypropyl)triazol-1-yl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 177643748
(2S,3R,4R)-4-[5-(3-carboxybutyl)triazol-1-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 177648220
(4S)-4-(4-butyl-1H-1,2,3-triazol-1-yl)-L-proline
CID 56720914
(4S)-4-[4-(2-carboxyethyl)-1H-1,2,3-triazol-1-yl]-L-proline
CID 137348178
(2S)-2-{4-[(1S)-1,5-diaminopentyl]-1H-1,2,3-triazol-1-yl}-4-methylpentanoic acid
CID 137350053
(2S,4S)-4-(4-butyl-3-methyltriazol-1-ium-1-yl)pyrrolidine-2-carboxylic acid
CID 101780009
(2S,5S,8S)-2,5-bis(2-methylpropyl)-3,6-dioxo-1,4,7,11,12-pentazabicyclo[8.2.1]trideca-10(13),11-diene-8-carboxylic acid
CID 134940631
(4S)-4-(4-isobutyl-1H-1,2,3-triazol-1-yl)-L-proline
CID 56704451
3-[1-[(2S)-3-methyl-1-oxo-1-piperidin-4-ylpentan-2-yl]triazol-4-yl]propanoic acid
CID 44464124
3-(3-Pyrrolidin-3-yltriazol-4-yl)propanoic acid
CID 53848724

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(4-cyclopentyltriazol-1-yl)pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S,4S)-4-(4-cyclopentyltriazol-1-yl)pyrrolidine-2-carboxylic acid;hydrochloride (CID 154924751) is (2S,4S)-4-(4-cyclopentyltriazol-1-yl)pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S,4S)-4-(4-cyclopentyltriazol-1-yl)pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S,4S)-4-(4-cyclopentyltriazol-1-yl)pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1C[C@H](n2cc(C3CCCC3)nn2)CN1.
What is the InChIKey of (2S,4S)-4-(4-cyclopentyltriazol-1-yl)pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is COTDNJNIUAAISV-IYPAPVHQSA-N. The full InChI is InChI=1S/C12H18N4O2.ClH/c17-12(18)10-5-9(6-13-10)16-7-11(14-15-16)8-3-1-2-4-8;/h7-10,13H,1-6H2,(H,17,18);1H/t9-,10-;/m0./s1.
What are the key properties of (2S,4S)-4-(4-cyclopentyltriazol-1-yl)pyrrolidine-2-carboxylic acid;hydrochloride?
(2S,4S)-4-(4-cyclopentyltriazol-1-yl)pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(4-cyclopentyltriazol-1-yl)pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 154924751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).