(2S)-N-[(1S)-1-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]-3-methylbutyl]pyrrolidine-2-carboxamide

C13H23N7O2 — CID 10405317

IUPAC(2S)-N-[(1S)-1-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]-3-methylbutyl]pyrrolidine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCCN1)c1nnn(CC(N)=O)n1
InChIInChI=1S/C13H23N7O2/c1-8(2)6-10(16-13(22)9-4-3-5-15-9)12-17-19-20(18-12)7-11(14)21/h8-10,15H,3-7H2,1-2H3,(H2,14,21)(H,16,22)/t9-,10-/m0/s1
InChIKeyPLQLQKRXKZAIOB-UWVGGRQHSA-N
MW309.37 g/mol
LogP-0.89
Rot. Bonds7

About (2S)-N-[(1S)-1-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]-3-methylbutyl]pyrrolidine-2-carboxamide

(2S)-N-[(1S)-1-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]-3-methylbutyl]pyrrolidine-2-carboxamide (PubChem CID 10405317) has the molecular formula C13H23N7O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]-3-methylbutyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]-3-methylbutyl]pyrrolidine-2-carboxamide
PubChem CID10405317
Molecular FormulaC13H23N7O2
Molecular Weight309.37 g/mol
Exact Mass309.19
IUPAC Name(2S)-N-[(1S)-1-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]-3-methylbutyl]pyrrolidine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCCN1)c1nnn(CC(N)=O)n1
InChIInChI=1S/C13H23N7O2/c1-8(2)6-10(16-13(22)9-4-3-5-15-9)12-17-19-20(18-12)7-11(14)21/h8-10,15H,3-7H2,1-2H3,(H2,14,21)(H,16,22)/t9-,10-/m0/s1
InChIKeyPLQLQKRXKZAIOB-UWVGGRQHSA-N
XLogP-0.89
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]-3-methylbutyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(1S)-1-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]-3-methylbutyl]pyrrolidine-2-carboxamide (CID 10405317) is (2S)-N-[(1S)-1-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]-3-methylbutyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1S)-1-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]-3-methylbutyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(1S)-1-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]-3-methylbutyl]pyrrolidine-2-carboxamide is CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)c1nnn(CC(N)=O)n1.
What is the InChIKey of (2S)-N-[(1S)-1-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]-3-methylbutyl]pyrrolidine-2-carboxamide?
The InChIKey is PLQLQKRXKZAIOB-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H23N7O2/c1-8(2)6-10(16-13(22)9-4-3-5-15-9)12-17-19-20(18-12)7-11(14)21/h8-10,15H,3-7H2,1-2H3,(H2,14,21)(H,16,22)/t9-,10-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]-3-methylbutyl]pyrrolidine-2-carboxamide?
(2S)-N-[(1S)-1-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]-3-methylbutyl]pyrrolidine-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of -0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]-3-methylbutyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 10405317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).