(2S)-2-amino-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid

C10H11N5O2 — CID 69315806

IUPAC(2S)-2-amino-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)O
InChIInChI=1S/C10H11N5O2/c11-8(10(16)17)5-6-1-3-7(4-2-6)9-12-14-15-13-9/h1-4,8H,5,11H2,(H,16,17)(H,12,13,14,15)/t8-/m0/s1
InChIKeyHPEPAIMKHIWXGV-QMMMGPOBSA-N
MW233.23 g/mol
LogP-0.18
Rot. Bonds4

About (2S)-2-amino-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid

(2S)-2-amino-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid (PubChem CID 69315806) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid
PubChem CID69315806
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name(2S)-2-amino-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)O
InChIInChI=1S/C10H11N5O2/c11-8(10(16)17)5-6-1-3-7(4-2-6)9-12-14-15-13-9/h1-4,8H,5,11H2,(H,16,17)(H,12,13,14,15)/t8-/m0/s1
InChIKeyHPEPAIMKHIWXGV-QMMMGPOBSA-N
XLogP-0.18
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(2S)-2-amino-3-(4-pyridazin-3-ylphenyl)propanoic acid
CID 172530060
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
2-amino-3-(4-arsanylphenyl)propanoic acid
CID 173173215
2,3-dihydroxy-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid
CID 170824705
5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole
CID 15279617
(2S)-2-amino-3,3-dimethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide;hydrochloride
CID 119778410
(2S)-2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid
CID 70052884
2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid
CID 19094367
(2S)-2-amino-3-[4-(2-amino-2-iminoethyl)phenyl]propanoic acid
CID 138546911
(3S)-3-methoxy-4-[4-[3-[4-[4-(2H-tetrazol-5-yl)phenyl]phenoxy]propoxy]phenyl]butan-2-one
CID 59984641
2-amino-3-(4-hydroxyphenyl)propanoic acid;urea
CID 18402054

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid (CID 69315806) is (2S)-2-amino-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid is N[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid?
The InChIKey is HPEPAIMKHIWXGV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11N5O2/c11-8(10(16)17)5-6-1-3-7(4-2-6)9-12-14-15-13-9/h1-4,8H,5,11H2,(H,16,17)(H,12,13,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid?
(2S)-2-amino-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid has a molecular weight of 233.23 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid is sourced from PubChem (CID 69315806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).