2-[methyl-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]acetic acid

C15H19N5O3 — CID 119346239

IUPAC2-[methyl-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]acetic acid
SMILESCC(C)C(C(=O)N(C)CC(=O)O)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C15H19N5O3/c1-10(2)13(15(23)19(3)9-12(21)22)20-17-14(16-18-20)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3,(H,21,22)
InChIKeyBRQREKBVOMSURN-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.08
Rot. Bonds6

About 2-[methyl-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]acetic acid

2-[methyl-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]acetic acid (PubChem CID 119346239) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[methyl-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]acetic acid
PubChem CID119346239
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name2-[methyl-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]acetic acid
SMILESCC(C)C(C(=O)N(C)CC(=O)O)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C15H19N5O3/c1-10(2)13(15(23)19(3)9-12(21)22)20-17-14(16-18-20)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3,(H,21,22)
InChIKeyBRQREKBVOMSURN-UHFFFAOYSA-N
XLogP1.08
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide
CID 109399686
N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 119505106
(2S)-3-methyl-N-(3-methylcyclobutyl)-2-(5-phenyltetrazol-2-yl)butanamide
CID 97319224
(2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 96561738
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119657176
N-[(1-hydroxycyclopentyl)methyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 111333121
3-methyl-2-(5-phenyltetrazol-2-yl)-N-piperidin-4-ylbutanamide
CID 119386255
methyl 3-(5-phenyltetrazol-2-yl)butanoate
CID 43536415
3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)butanamide
CID 60567231
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butan-1-one;hydrochloride
CID 120806502
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butan-1-one;hydrochloride
CID 119517161
(2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 94638623

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]acetic acid (CID 119346239) is 2-[methyl-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]acetic acid is CC(C)C(C(=O)N(C)CC(=O)O)n1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-[methyl-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]acetic acid?
The InChIKey is BRQREKBVOMSURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-10(2)13(15(23)19(3)9-12(21)22)20-17-14(16-18-20)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3,(H,21,22).
What are the key properties of 2-[methyl-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]acetic acid?
2-[methyl-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]acetic acid has a molecular weight of 317.35 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]acetic acid is sourced from PubChem (CID 119346239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).