(2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide

C10H20N6O — CID 67292725

IUPAC(2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCCCc1nn[nH]n1
InChIInChI=1S/C10H20N6O/c1-3-7(2)9(11)10(17)12-6-4-5-8-13-15-16-14-8/h7,9H,3-6,11H2,1-2H3,(H,12,17)(H,13,14,15,16)/t7?,9-/m0/s1
InChIKeyMYBLIUOJFICAJM-NETXQHHPSA-N
MW240.31 g/mol
LogP-0.38
Rot. Bonds7

About (2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide

(2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide (PubChem CID 67292725) has the molecular formula C10H20N6O and a molecular weight of 240.31 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide
PubChem CID67292725
Molecular FormulaC10H20N6O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC Name(2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCCCc1nn[nH]n1
InChIInChI=1S/C10H20N6O/c1-3-7(2)9(11)10(17)12-6-4-5-8-13-15-16-14-8/h7,9H,3-6,11H2,1-2H3,(H,12,17)(H,13,14,15,16)/t7?,9-/m0/s1
InChIKeyMYBLIUOJFICAJM-NETXQHHPSA-N
XLogP-0.38
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide (CID 67292725) is (2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide is CCC(C)[C@H](N)C(=O)NCCCc1nn[nH]n1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide?
The InChIKey is MYBLIUOJFICAJM-NETXQHHPSA-N. The full InChI is InChI=1S/C10H20N6O/c1-3-7(2)9(11)10(17)12-6-4-5-8-13-15-16-14-8/h7,9H,3-6,11H2,1-2H3,(H,12,17)(H,13,14,15,16)/t7?,9-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide?
(2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide has a molecular weight of 240.31 g/mol, XLogP of -0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide is sourced from PubChem (CID 67292725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).