(2S)-2-amino-4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]pentanamide

C9H18N6O — CID 90079649

IUPAC(2S)-2-amino-4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCc1nn[nH]n1
InChIInChI=1S/C9H18N6O/c1-6(2)5-7(10)9(16)11-4-3-8-12-14-15-13-8/h6-7H,3-5,10H2,1-2H3,(H,11,16)(H,12,13,14,15)/t7-/m0/s1
InChIKeyQUXWICYJRODCFJ-ZETCQYMHSA-N
MW226.28 g/mol
LogP-0.77
Rot. Bonds6

About (2S)-2-amino-4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]pentanamide

(2S)-2-amino-4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]pentanamide (PubChem CID 90079649) has the molecular formula C9H18N6O and a molecular weight of 226.28 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]pentanamide
PubChem CID90079649
Molecular FormulaC9H18N6O
Molecular Weight226.28 g/mol
Exact Mass226.15
IUPAC Name(2S)-2-amino-4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCc1nn[nH]n1
InChIInChI=1S/C9H18N6O/c1-6(2)5-7(10)9(16)11-4-3-8-12-14-15-13-8/h6-7H,3-5,10H2,1-2H3,(H,11,16)(H,12,13,14,15)/t7-/m0/s1
InChIKeyQUXWICYJRODCFJ-ZETCQYMHSA-N
XLogP-0.77
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]pentanamide (CID 90079649) is (2S)-2-amino-4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]pentanamide is CC(C)C[C@H](N)C(=O)NCCc1nn[nH]n1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]pentanamide?
The InChIKey is QUXWICYJRODCFJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N6O/c1-6(2)5-7(10)9(16)11-4-3-8-12-14-15-13-8/h6-7H,3-5,10H2,1-2H3,(H,11,16)(H,12,13,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]pentanamide?
(2S)-2-amino-4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]pentanamide has a molecular weight of 226.28 g/mol, XLogP of -0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]pentanamide is sourced from PubChem (CID 90079649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).