methyl 4-hydroxy-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxylate

C10H14N4O4 — CID 112632463

IUPACmethyl 4-hydroxy-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)Cn1ccnn1
InChIInChI=1S/C10H14N4O4/c1-18-10(17)8-4-7(15)5-14(8)9(16)6-13-3-2-11-12-13/h2-3,7-8,15H,4-6H2,1H3
InChIKeyNMUSCPGIUQDNRU-UHFFFAOYSA-N
MW254.25 g/mol
LogP-1.59
Rot. Bonds3

About methyl 4-hydroxy-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxylate (PubChem CID 112632463) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is methyl 4-hydroxy-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxylate
PubChem CID112632463
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Namemethyl 4-hydroxy-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)Cn1ccnn1
InChIInChI=1S/C10H14N4O4/c1-18-10(17)8-4-7(15)5-14(8)9(16)6-13-3-2-11-12-13/h2-3,7-8,15H,4-6H2,1H3
InChIKeyNMUSCPGIUQDNRU-UHFFFAOYSA-N
XLogP-1.59
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-1.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,4R)-1-[(tert-butoxy)carbonyl]-4-(1H-1,2,3-triazol-1-yl)pyrrolidine-2-carboxylic acid
CID 177799796
1-O-tert-butyl 2-O-methyl (2S)-4-(triazol-1-yl)pyrrolidine-1,2-dicarboxylate
CID 146206033
(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(4-methyltriazol-1-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 171525671
(2S,4R)-4-hydroxy-1-[3-methyl-2-(4-methyltriazol-1-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 178001643
(2S)-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 28789636
(2R)-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 28789638
(2S,4R)-4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 28790156
(2S,4S)-4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 28790158
(2R,4R)-4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 28790160
1-[3-(Triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 43211077
4-Hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 43211141
4-Methoxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 43211299

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxylate (CID 112632463) is methyl 4-hydroxy-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1C(=O)Cn1ccnn1.
What is the InChIKey of methyl 4-hydroxy-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxylate?
The InChIKey is NMUSCPGIUQDNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-18-10(17)8-4-7(15)5-14(8)9(16)6-13-3-2-11-12-13/h2-3,7-8,15H,4-6H2,1H3.
What are the key properties of methyl 4-hydroxy-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxylate has a molecular weight of 254.25 g/mol, XLogP of -1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 112632463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).