(2S,4S)-4-[4-(2-carboxyethyl)triazol-1-yl]pyrrolidine-2-carboxylic acid

C10H14N4O4 — CID 137348178

IUPAC(2S,4S)-4-[4-(2-carboxyethyl)triazol-1-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)CCc1cn([C@@H]2CN[C@H](C(=O)O)C2)nn1
InChIInChI=1S/C10H14N4O4/c15-9(16)2-1-6-5-14(13-12-6)7-3-8(10(17)18)11-4-7/h5,7-8,11H,1-4H2,(H,15,16)(H,17,18)/t7-,8-/m0/s1
InChIKeyHRFDVDAKRKYOIW-YUMQZZPRSA-N
MW254.25 g/mol
LogP-0.72
Rot. Bonds5

About (2S,4S)-4-[4-(2-carboxyethyl)triazol-1-yl]pyrrolidine-2-carboxylic acid

(2S,4S)-4-[4-(2-carboxyethyl)triazol-1-yl]pyrrolidine-2-carboxylic acid (PubChem CID 137348178) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is (2S,4S)-4-[4-(2-carboxyethyl)triazol-1-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-[4-(2-carboxyethyl)triazol-1-yl]pyrrolidine-2-carboxylic acid
PubChem CID137348178
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name(2S,4S)-4-[4-(2-carboxyethyl)triazol-1-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)CCc1cn([C@@H]2CN[C@H](C(=O)O)C2)nn1
InChIInChI=1S/C10H14N4O4/c15-9(16)2-1-6-5-14(13-12-6)7-3-8(10(17)18)11-4-7/h5,7-8,11H,1-4H2,(H,15,16)(H,17,18)/t7-,8-/m0/s1
InChIKeyHRFDVDAKRKYOIW-YUMQZZPRSA-N
XLogP-0.72
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

YU-Mono-KE-DP
CID 16129531
2-Amino-3-[1-[2-[ditert-butyl(fluoro)silyl]ethyl]triazol-4-yl]propanoic acid
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(2S)-2-amino-3-(1-methyl-1H-1,2,3-triazol-4-yl)propanoic acid
CID 94905321
2-{[(tert-butoxy)carbonyl]amino}-3-(1-methyl-1H-1,2,3-triazol-4-yl)propanoic acid
CID 64142926
Yu-mono-AE-DP
CID 16129517
(S)-2-amino-3-(1-(carboxymethyl)-1H-1,2,3-triazol-4-yl)propanoic acid
CID 52941387
(S)-2-amino-3-(1-(carboxymethyl)-1H-1,2,3-triazol-5-yl)propanoic acid
CID 52947499
2-Amino-3-[1-[2-[ditert-butyl(fluoro)silyl]ethyl]triazol-4-yl]propanoic acid
CID 72704295
2-Amino-3-[1-[3-[ditert-butyl(fluoro)silyl]propyl]triazol-4-yl]propanoic acid
CID 72704296
4-[1-[[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]methyl]triazol-4-yl]butanoic acid
CID 145973279
(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

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[4-(2-carboxyethyl)triazol-1-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-[4-(2-carboxyethyl)triazol-1-yl]pyrrolidine-2-carboxylic acid (CID 137348178) is (2S,4S)-4-[4-(2-carboxyethyl)triazol-1-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-[4-(2-carboxyethyl)triazol-1-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-[4-(2-carboxyethyl)triazol-1-yl]pyrrolidine-2-carboxylic acid is O=C(O)CCc1cn([C@@H]2CN[C@H](C(=O)O)C2)nn1.
What is the InChIKey of (2S,4S)-4-[4-(2-carboxyethyl)triazol-1-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is HRFDVDAKRKYOIW-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H14N4O4/c15-9(16)2-1-6-5-14(13-12-6)7-3-8(10(17)18)11-4-7/h5,7-8,11H,1-4H2,(H,15,16)(H,17,18)/t7-,8-/m0/s1.
What are the key properties of (2S,4S)-4-[4-(2-carboxyethyl)triazol-1-yl]pyrrolidine-2-carboxylic acid?
(2S,4S)-4-[4-(2-carboxyethyl)triazol-1-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of -0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[4-(2-carboxyethyl)triazol-1-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 137348178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).