(2S)-4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid

C8H11N5O4 — CID 61153087

IUPAC(2S)-4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)Cn1cnnn1
InChIInChI=1S/C8H11N5O4/c14-5-1-6(8(16)17)13(2-5)7(15)3-12-4-9-10-11-12/h4-6,14H,1-3H2,(H,16,17)/t5?,6-/m0/s1
InChIKeyPBAOMTIJSMJYGF-GDVGLLTNSA-N
MW241.21 g/mol
LogP-2.28
Rot. Bonds3

About (2S)-4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 61153087) has the molecular formula C8H11N5O4 and a molecular weight of 241.21 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID61153087
Molecular FormulaC8H11N5O4
Molecular Weight241.21 g/mol
Exact Mass241.08
IUPAC Name(2S)-4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)Cn1cnnn1
InChIInChI=1S/C8H11N5O4/c14-5-1-6(8(16)17)13(2-5)7(15)3-12-4-9-10-11-12/h4-6,14H,1-3H2,(H,16,17)/t5?,6-/m0/s1
InChIKeyPBAOMTIJSMJYGF-GDVGLLTNSA-N
XLogP-2.28
TPSA121.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 5-2.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,4R)-4-hydroxy-1-[2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 166398810
1-[2-(Tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 24703964
4-Hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 24704820
4-Methoxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 24706822
(2S)-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 28203289
(2R)-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 28203291
(2S,4R)-4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 28204747
(2S,4S)-4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 28204749
(2R,4R)-4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 28204751
(2S)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 28789696
(2R)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 28789698
(2S,4R)-4-hydroxy-1-[3-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 28790187

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid (CID 61153087) is (2S)-4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC(O)CN1C(=O)Cn1cnnn1.
What is the InChIKey of (2S)-4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is PBAOMTIJSMJYGF-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H11N5O4/c14-5-1-6(8(16)17)13(2-5)7(15)3-12-4-9-10-11-12/h4-6,14H,1-3H2,(H,16,17)/t5?,6-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 241.21 g/mol, XLogP of -2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61153087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).