(2S,3S)-2-amino-3-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide;hydrochloride

C14H21ClN6O — CID 154902918

IUPAC(2S,3S)-2-amino-3-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide;hydrochloride
SMILESCC[C@H](C)[C@H](N)C(=O)NCc1cccc(-c2nn[nH]n2)c1.Cl
InChIInChI=1S/C14H20N6O.ClH/c1-3-9(2)12(15)14(21)16-8-10-5-4-6-11(7-10)13-17-19-20-18-13;/h4-7,9,12H,3,8,15H2,1-2H3,(H,16,21)(H,17,18,19,20);1H/t9-,12-;/m0./s1
InChIKeyKQCPZXVHKFWQAZ-CSDGMEMJSA-N
MW324.82 g/mol
LogP1.28
Rot. Bonds6

About (2S,3S)-2-amino-3-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide;hydrochloride

(2S,3S)-2-amino-3-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide;hydrochloride (PubChem CID 154902918) has the molecular formula C14H21ClN6O and a molecular weight of 324.82 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide;hydrochloride
PubChem CID154902918
Molecular FormulaC14H21ClN6O
Molecular Weight324.82 g/mol
Exact Mass324.15
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide;hydrochloride
SMILESCC[C@H](C)[C@H](N)C(=O)NCc1cccc(-c2nn[nH]n2)c1.Cl
InChIInChI=1S/C14H20N6O.ClH/c1-3-9(2)12(15)14(21)16-8-10-5-4-6-11(7-10)13-17-19-20-18-13;/h4-7,9,12H,3,8,15H2,1-2H3,(H,16,21)(H,17,18,19,20);1H/t9-,12-;/m0./s1
InChIKeyKQCPZXVHKFWQAZ-CSDGMEMJSA-N
XLogP1.28
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.82
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,3S)-2-amino-3-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide;hydrochloride with MolForge

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Related Compounds

3-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]benzoic acid
CID 61161892
2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
CID 43515242
3-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-methylbenzamide
CID 119719976
N-[(3-acetamidophenyl)methyl]-2-amino-3-methylpentanamide;hydrochloride
CID 119706304
2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide
CID 119763023
(2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 61178824
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide
CID 69170793
(2S)-2-amino-3,3-dimethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide;hydrochloride
CID 119778410
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride
CID 119709573
2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119690822
(4S)-4-morpholin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide
CID 125179870
2-methyl-3-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 119778417

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide;hydrochloride?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide;hydrochloride (CID 154902918) is (2S,3S)-2-amino-3-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide;hydrochloride.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide;hydrochloride?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide;hydrochloride is CC[C@H](C)[C@H](N)C(=O)NCc1cccc(-c2nn[nH]n2)c1.Cl.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide;hydrochloride?
The InChIKey is KQCPZXVHKFWQAZ-CSDGMEMJSA-N. The full InChI is InChI=1S/C14H20N6O.ClH/c1-3-9(2)12(15)14(21)16-8-10-5-4-6-11(7-10)13-17-19-20-18-13;/h4-7,9,12H,3,8,15H2,1-2H3,(H,16,21)(H,17,18,19,20);1H/t9-,12-;/m0./s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide;hydrochloride?
(2S,3S)-2-amino-3-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide;hydrochloride has a molecular weight of 324.82 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide;hydrochloride is sourced from PubChem (CID 154902918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).