(2S)-2-(4-methylpentanoylamino)-3-(2H-tetrazol-5-yl)propanoic acid

C10H17N5O3 — CID 163445372

IUPAC(2S)-2-(4-methylpentanoylamino)-3-(2H-tetrazol-5-yl)propanoic acid
SMILESCC(C)CCC(=O)N[C@@H](Cc1nn[nH]n1)C(=O)O
InChIInChI=1S/C10H17N5O3/c1-6(2)3-4-9(16)11-7(10(17)18)5-8-12-14-15-13-8/h6-7H,3-5H2,1-2H3,(H,11,16)(H,17,18)(H,12,13,14,15)/t7-/m0/s1
InChIKeyBCBGAGDLILJMFZ-ZETCQYMHSA-N
MW255.28 g/mol
LogP-0.25
Rot. Bonds7

About (2S)-2-(4-methylpentanoylamino)-3-(2H-tetrazol-5-yl)propanoic acid

(2S)-2-(4-methylpentanoylamino)-3-(2H-tetrazol-5-yl)propanoic acid (PubChem CID 163445372) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is (2S)-2-(4-methylpentanoylamino)-3-(2H-tetrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-methylpentanoylamino)-3-(2H-tetrazol-5-yl)propanoic acid
PubChem CID163445372
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name(2S)-2-(4-methylpentanoylamino)-3-(2H-tetrazol-5-yl)propanoic acid
SMILESCC(C)CCC(=O)N[C@@H](Cc1nn[nH]n1)C(=O)O
InChIInChI=1S/C10H17N5O3/c1-6(2)3-4-9(16)11-7(10(17)18)5-8-12-14-15-13-8/h6-7H,3-5H2,1-2H3,(H,11,16)(H,17,18)(H,12,13,14,15)/t7-/m0/s1
InChIKeyBCBGAGDLILJMFZ-ZETCQYMHSA-N
XLogP-0.25
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
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)-2-(4-methylpentanoylamino)-3-(2H-tetrazol-5-yl)propanoic acid?
The IUPAC name of (2S)-2-(4-methylpentanoylamino)-3-(2H-tetrazol-5-yl)propanoic acid (CID 163445372) is (2S)-2-(4-methylpentanoylamino)-3-(2H-tetrazol-5-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(4-methylpentanoylamino)-3-(2H-tetrazol-5-yl)propanoic acid?
The canonical SMILES for (2S)-2-(4-methylpentanoylamino)-3-(2H-tetrazol-5-yl)propanoic acid is CC(C)CCC(=O)N[C@@H](Cc1nn[nH]n1)C(=O)O.
What is the InChIKey of (2S)-2-(4-methylpentanoylamino)-3-(2H-tetrazol-5-yl)propanoic acid?
The InChIKey is BCBGAGDLILJMFZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-6(2)3-4-9(16)11-7(10(17)18)5-8-12-14-15-13-8/h6-7H,3-5H2,1-2H3,(H,11,16)(H,17,18)(H,12,13,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-(4-methylpentanoylamino)-3-(2H-tetrazol-5-yl)propanoic acid?
(2S)-2-(4-methylpentanoylamino)-3-(2H-tetrazol-5-yl)propanoic acid has a molecular weight of 255.28 g/mol, XLogP of -0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylpentanoylamino)-3-(2H-tetrazol-5-yl)propanoic acid is sourced from PubChem (CID 163445372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).