2-amino-4-methylpentanoic acid;2H-tetrazole

C7H15N5O2 — CID 22105456

IUPAC2-amino-4-methylpentanoic acid;2H-tetrazole
SMILESCC(C)CC(N)C(=O)O.c1nn[nH]n1
InChIInChI=1S/C6H13NO2.CH2N4/c1-4(2)3-5(7)6(8)9;1-2-4-5-3-1/h4-5H,3,7H2,1-2H3,(H,8,9);1H,(H,2,3,4,5)
InChIKeySNOKBOYUSIVLQX-UHFFFAOYSA-N
MW201.23 g/mol
LogP-0.36
Rot. Bonds3

About 2-amino-4-methylpentanoic acid;2H-tetrazole

2-amino-4-methylpentanoic acid;2H-tetrazole (PubChem CID 22105456) has the molecular formula C7H15N5O2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-amino-4-methylpentanoic acid;2H-tetrazole.

Molecular Properties

Compound Name2-amino-4-methylpentanoic acid;2H-tetrazole
PubChem CID22105456
Molecular FormulaC7H15N5O2
Molecular Weight201.23 g/mol
Exact Mass201.12
IUPAC Name2-amino-4-methylpentanoic acid;2H-tetrazole
SMILESCC(C)CC(N)C(=O)O.c1nn[nH]n1
InChIInChI=1S/C6H13NO2.CH2N4/c1-4(2)3-5(7)6(8)9;1-2-4-5-3-1/h4-5H,3,7H2,1-2H3,(H,8,9);1H,(H,2,3,4,5)
InChIKeySNOKBOYUSIVLQX-UHFFFAOYSA-N
XLogP-0.36
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
2-amino-4-methylpentanoic acid;chromium
CID 88640601
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
CID 6369563
CID 6369563
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319
(2S)-2-amino-4-methylpentanoic acid;oxovanadium
CID 175017880
bis((2S)-2-amino-4-methylpentanoic acid);bis((2S)-2-aminopropanoic acid)
CID 57354298
acetaldehyde;(2R)-2-amino-4-methylpentanoic acid
CID 155104074
(2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid
CID 160585227
(2S)-2-amino-4-methylpentanoic acid;propanoic acid
CID 158078275
acetyl chloride;(2S)-2-amino-4-methylpentanoic acid;hydrochloride
CID 56924245

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylpentanoic acid;2H-tetrazole?
The IUPAC name of 2-amino-4-methylpentanoic acid;2H-tetrazole (CID 22105456) is 2-amino-4-methylpentanoic acid;2H-tetrazole.
What is the SMILES notation for 2-amino-4-methylpentanoic acid;2H-tetrazole?
The canonical SMILES for 2-amino-4-methylpentanoic acid;2H-tetrazole is CC(C)CC(N)C(=O)O.c1nn[nH]n1.
What is the InChIKey of 2-amino-4-methylpentanoic acid;2H-tetrazole?
The InChIKey is SNOKBOYUSIVLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.CH2N4/c1-4(2)3-5(7)6(8)9;1-2-4-5-3-1/h4-5H,3,7H2,1-2H3,(H,8,9);1H,(H,2,3,4,5).
What are the key properties of 2-amino-4-methylpentanoic acid;2H-tetrazole?
2-amino-4-methylpentanoic acid;2H-tetrazole has a molecular weight of 201.23 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylpentanoic acid;2H-tetrazole is sourced from PubChem (CID 22105456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).