4,4-dimethyl-2-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid

C11H19N5O3 — CID 107473948

IUPAC4,4-dimethyl-2-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid
SMILESCC(C)(C)CC(CNC(=O)Cn1cnnn1)C(=O)O
InChIInChI=1S/C11H19N5O3/c1-11(2,3)4-8(10(18)19)5-12-9(17)6-16-7-13-14-15-16/h7-8H,4-6H2,1-3H3,(H,12,17)(H,18,19)
InChIKeyQPVBNXMWVDTQAX-UHFFFAOYSA-N
MW269.31 g/mol
LogP-0.07
Rot. Bonds6

About 4,4-dimethyl-2-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid

4,4-dimethyl-2-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid (PubChem CID 107473948) has the molecular formula C11H19N5O3 and a molecular weight of 269.31 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid
PubChem CID107473948
Molecular FormulaC11H19N5O3
Molecular Weight269.31 g/mol
Exact Mass269.15
IUPAC Name4,4-dimethyl-2-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid
SMILESCC(C)(C)CC(CNC(=O)Cn1cnnn1)C(=O)O
InChIInChI=1S/C11H19N5O3/c1-11(2,3)4-8(10(18)19)5-12-9(17)6-16-7-13-14-15-16/h7-8H,4-6H2,1-3H3,(H,12,17)(H,18,19)
InChIKeyQPVBNXMWVDTQAX-UHFFFAOYSA-N
XLogP-0.07
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 106107321
N-[2-(methylamino)propyl]-2-(tetrazol-1-yl)acetamide
CID 103512678
N-ethyl-2-(tetrazol-1-yl)acetamide
CID 130679342
3-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid
CID 81065301
2-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 62883661
4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid
CID 24697179
3-hydroxy-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid
CID 24711091
N-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(tetrazol-1-yl)acetamide
CID 51954474
4,4-dimethyl-2-[(pentanoylamino)methyl]pentanoic acid
CID 107474192
N-(1-amino-2-methylpropan-2-yl)-2-(tetrazol-1-yl)acetamide
CID 63193881
(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid
CID 82813094
N-(2,2-difluoro-3-hydroxypropyl)-2-(tetrazol-1-yl)acetamide
CID 104857271

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid (CID 107473948) is 4,4-dimethyl-2-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid is CC(C)(C)CC(CNC(=O)Cn1cnnn1)C(=O)O.
What is the InChIKey of 4,4-dimethyl-2-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid?
The InChIKey is QPVBNXMWVDTQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-11(2,3)4-8(10(18)19)5-12-9(17)6-16-7-13-14-15-16/h7-8H,4-6H2,1-3H3,(H,12,17)(H,18,19).
What are the key properties of 4,4-dimethyl-2-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid?
4,4-dimethyl-2-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid has a molecular weight of 269.31 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 107473948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).