(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid

C11H17N5O5 — CID 82813094

IUPAC(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid
SMILESCC(C)(C)OC(=O)C[C@H](NC(=O)Cn1cnnn1)C(=O)O
InChIInChI=1S/C11H17N5O5/c1-11(2,3)21-9(18)4-7(10(19)20)13-8(17)5-16-6-12-14-15-16/h6-7H,4-5H2,1-3H3,(H,13,17)(H,19,20)/t7-/m0/s1
InChIKeyCUHHPYIDDYIMCX-ZETCQYMHSA-N
MW299.29 g/mol
LogP-1.03
Rot. Bonds6

About (2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid

(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid (PubChem CID 82813094) has the molecular formula C11H17N5O5 and a molecular weight of 299.29 g/mol. Its IUPAC name is (2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid
PubChem CID82813094
Molecular FormulaC11H17N5O5
Molecular Weight299.29 g/mol
Exact Mass299.12
IUPAC Name(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid
SMILESCC(C)(C)OC(=O)C[C@H](NC(=O)Cn1cnnn1)C(=O)O
InChIInChI=1S/C11H17N5O5/c1-11(2,3)21-9(18)4-7(10(19)20)13-8(17)5-16-6-12-14-15-16/h6-7H,4-5H2,1-3H3,(H,13,17)(H,19,20)/t7-/m0/s1
InChIKeyCUHHPYIDDYIMCX-ZETCQYMHSA-N
XLogP-1.03
TPSA136.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid
CID 24697179
(2S)-2-[(2-aminoacetyl)amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 82841778
(2S)-2-(3-methylpentanoylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 104982230
(2S)-2-(4-methylpentanoylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 82841237
methyl (2S)-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
CID 56817529
(2S)-4-[(2-methylpropan-2-yl)oxy]-2-(3-methylsulfonylpropanoylamino)-4-oxobutanoic acid
CID 82813823
2-methoxy-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 106107321
3-(3,4-dimethoxyphenyl)-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 119164516
(2S)-2-(cyclopropanecarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 82841055
methyl 3-(4-fluorophenyl)-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
CID 71685310
(2S)-2-[[(2S)-2-aminopentanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 107570404
(2S)-2-(2-acetamidopropanoylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 82812995

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid?
The IUPAC name of (2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid (CID 82813094) is (2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for (2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid?
The canonical SMILES for (2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid is CC(C)(C)OC(=O)C[C@H](NC(=O)Cn1cnnn1)C(=O)O.
What is the InChIKey of (2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid?
The InChIKey is CUHHPYIDDYIMCX-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H17N5O5/c1-11(2,3)21-9(18)4-7(10(19)20)13-8(17)5-16-6-12-14-15-16/h6-7H,4-5H2,1-3H3,(H,13,17)(H,19,20)/t7-/m0/s1.
What are the key properties of (2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid?
(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid has a molecular weight of 299.29 g/mol, XLogP of -1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 82813094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).