(3S,4S)-4-propyl-1-[2-(tetrazol-2-yl)acetyl]pyrrolidine-3-carboxylic acid

C11H17N5O3 — CID 72907289

IUPAC(3S,4S)-4-propyl-1-[2-(tetrazol-2-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCCC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C(=O)O
InChIInChI=1S/C11H17N5O3/c1-2-3-8-4-15(5-9(8)11(18)19)10(17)6-16-13-7-12-14-16/h7-9H,2-6H2,1H3,(H,18,19)/t8-,9-/m1/s1
InChIKeyCHVZGHFSVNHUTI-RKDXNWHRSA-N
MW267.29 g/mol
LogP-0.37
Rot. Bonds5

About (3S,4S)-4-propyl-1-[2-(tetrazol-2-yl)acetyl]pyrrolidine-3-carboxylic acid

(3S,4S)-4-propyl-1-[2-(tetrazol-2-yl)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 72907289) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is (3S,4S)-4-propyl-1-[2-(tetrazol-2-yl)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-propyl-1-[2-(tetrazol-2-yl)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID72907289
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name(3S,4S)-4-propyl-1-[2-(tetrazol-2-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCCC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C(=O)O
InChIInChI=1S/C11H17N5O3/c1-2-3-8-4-15(5-9(8)11(18)19)10(17)6-16-13-7-12-14-16/h7-9H,2-6H2,1H3,(H,18,19)/t8-,9-/m1/s1
InChIKeyCHVZGHFSVNHUTI-RKDXNWHRSA-N
XLogP-0.37
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-propyl-1-[2-(tetrazol-2-yl)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-propyl-1-[2-(tetrazol-2-yl)acetyl]pyrrolidine-3-carboxylic acid (CID 72907289) is (3S,4S)-4-propyl-1-[2-(tetrazol-2-yl)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-propyl-1-[2-(tetrazol-2-yl)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-propyl-1-[2-(tetrazol-2-yl)acetyl]pyrrolidine-3-carboxylic acid is CCC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C(=O)O.
What is the InChIKey of (3S,4S)-4-propyl-1-[2-(tetrazol-2-yl)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is CHVZGHFSVNHUTI-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-2-3-8-4-15(5-9(8)11(18)19)10(17)6-16-13-7-12-14-16/h7-9H,2-6H2,1H3,(H,18,19)/t8-,9-/m1/s1.
What are the key properties of (3S,4S)-4-propyl-1-[2-(tetrazol-2-yl)acetyl]pyrrolidine-3-carboxylic acid?
(3S,4S)-4-propyl-1-[2-(tetrazol-2-yl)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of -0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-propyl-1-[2-(tetrazol-2-yl)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 72907289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).