(2S)-2-[(1S)-2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-4-phenylpentanoic acid

C19H22N6O2 — CID 118499885

IUPAC(2S)-2-[(1S)-2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-4-phenylpentanoic acid
SMILESCC(C[C@H](C(=O)O)[C@H](Cc1ccc(N)nc1)c1nn[nH]n1)c1ccccc1
InChIInChI=1S/C19H22N6O2/c1-12(14-5-3-2-4-6-14)9-16(19(26)27)15(18-22-24-25-23-18)10-13-7-8-17(20)21-11-13/h2-8,11-12,15-16H,9-10H2,1H3,(H2,20,21)(H,26,27)(H,22,23,24,25)/t12?,15-,16-/m0/s1
InChIKeyNCVIOFZHARSROC-KZMQIFKDSA-N
MW366.43 g/mol
LogP2.40
Rot. Bonds8

About (2S)-2-[(1S)-2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-4-phenylpentanoic acid

(2S)-2-[(1S)-2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-4-phenylpentanoic acid (PubChem CID 118499885) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is (2S)-2-[(1S)-2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-4-phenylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1S)-2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-4-phenylpentanoic acid
PubChem CID118499885
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name(2S)-2-[(1S)-2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-4-phenylpentanoic acid
SMILESCC(C[C@H](C(=O)O)[C@H](Cc1ccc(N)nc1)c1nn[nH]n1)c1ccccc1
InChIInChI=1S/C19H22N6O2/c1-12(14-5-3-2-4-6-14)9-16(19(26)27)15(18-22-24-25-23-18)10-13-7-8-17(20)21-11-13/h2-8,11-12,15-16H,9-10H2,1H3,(H2,20,21)(H,26,27)(H,22,23,24,25)/t12?,15-,16-/m0/s1
InChIKeyNCVIOFZHARSROC-KZMQIFKDSA-N
XLogP2.40
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-4-phenylpentanoic acid?
The IUPAC name of (2S)-2-[(1S)-2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-4-phenylpentanoic acid (CID 118499885) is (2S)-2-[(1S)-2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-4-phenylpentanoic acid.
What is the SMILES notation for (2S)-2-[(1S)-2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-4-phenylpentanoic acid?
The canonical SMILES for (2S)-2-[(1S)-2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-4-phenylpentanoic acid is CC(C[C@H](C(=O)O)[C@H](Cc1ccc(N)nc1)c1nn[nH]n1)c1ccccc1.
What is the InChIKey of (2S)-2-[(1S)-2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-4-phenylpentanoic acid?
The InChIKey is NCVIOFZHARSROC-KZMQIFKDSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-12(14-5-3-2-4-6-14)9-16(19(26)27)15(18-22-24-25-23-18)10-13-7-8-17(20)21-11-13/h2-8,11-12,15-16H,9-10H2,1H3,(H2,20,21)(H,26,27)(H,22,23,24,25)/t12?,15-,16-/m0/s1.
What are the key properties of (2S)-2-[(1S)-2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-4-phenylpentanoic acid?
(2S)-2-[(1S)-2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-4-phenylpentanoic acid has a molecular weight of 366.43 g/mol, XLogP of 2.40, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-4-phenylpentanoic acid is sourced from PubChem (CID 118499885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).