(2S)-4,4-dimethyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]pentanoic acid

C10H17N5O3 — CID 69196247

IUPAC(2S)-4,4-dimethyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]pentanoic acid
SMILESCC(C)(C)C[C@H](NC(=O)Cc1nn[nH]n1)C(=O)O
InChIInChI=1S/C10H17N5O3/c1-10(2,3)5-6(9(17)18)11-8(16)4-7-12-14-15-13-7/h6H,4-5H2,1-3H3,(H,11,16)(H,17,18)(H,12,13,14,15)/t6-/m0/s1
InChIKeyVIEAVJVUYSMLTI-LURJTMIESA-N
MW255.28 g/mol
LogP-0.25
Rot. Bonds5

About (2S)-4,4-dimethyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]pentanoic acid

(2S)-4,4-dimethyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]pentanoic acid (PubChem CID 69196247) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is (2S)-4,4-dimethyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4,4-dimethyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]pentanoic acid
PubChem CID69196247
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name(2S)-4,4-dimethyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]pentanoic acid
SMILESCC(C)(C)C[C@H](NC(=O)Cc1nn[nH]n1)C(=O)O
InChIInChI=1S/C10H17N5O3/c1-10(2,3)5-6(9(17)18)11-8(16)4-7-12-14-15-13-7/h6H,4-5H2,1-3H3,(H,11,16)(H,17,18)(H,12,13,14,15)/t6-/m0/s1
InChIKeyVIEAVJVUYSMLTI-LURJTMIESA-N
XLogP-0.25
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-dimethyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-4,4-dimethyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]pentanoic acid (CID 69196247) is (2S)-4,4-dimethyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-4,4-dimethyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-4,4-dimethyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]pentanoic acid is CC(C)(C)C[C@H](NC(=O)Cc1nn[nH]n1)C(=O)O.
What is the InChIKey of (2S)-4,4-dimethyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]pentanoic acid?
The InChIKey is VIEAVJVUYSMLTI-LURJTMIESA-N. The full InChI is InChI=1S/C10H17N5O3/c1-10(2,3)5-6(9(17)18)11-8(16)4-7-12-14-15-13-7/h6H,4-5H2,1-3H3,(H,11,16)(H,17,18)(H,12,13,14,15)/t6-/m0/s1.
What are the key properties of (2S)-4,4-dimethyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]pentanoic acid?
(2S)-4,4-dimethyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]pentanoic acid has a molecular weight of 255.28 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-dimethyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 69196247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).