(2S)-2-[(1Z,2S)-1-amino-1-(aminohydrazinylidene)-3-[4-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]propan-2-yl]pentanoic acid

C24H34N6O3 — CID 144957428

IUPAC(2S)-2-[(1Z,2S)-1-amino-1-(aminohydrazinylidene)-3-[4-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]propan-2-yl]pentanoic acid
SMILESCCC[C@H](C(=O)O)[C@H](Cc1ccc(-c2cccc(OC3CCNCC3)n2)cc1)/C(N)=N/NN
InChIInChI=1S/C24H34N6O3/c1-2-4-19(24(31)32)20(23(25)29-30-26)15-16-7-9-17(10-8-16)21-5-3-6-22(28-21)33-18-11-13-27-14-12-18/h3,5-10,18-20,27,30H,2,4,11-15,26H2,1H3,(H2,25,29)(H,31,32)/t19-,20-/m0/s1
InChIKeyAESROWKTGGRDQU-PMACEKPBSA-N
MW454.58 g/mol
LogP2.27
Rot. Bonds11

About (2S)-2-[(1Z,2S)-1-amino-1-(aminohydrazinylidene)-3-[4-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]propan-2-yl]pentanoic acid

(2S)-2-[(1Z,2S)-1-amino-1-(aminohydrazinylidene)-3-[4-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]propan-2-yl]pentanoic acid (PubChem CID 144957428) has the molecular formula C24H34N6O3 and a molecular weight of 454.58 g/mol. Its IUPAC name is (2S)-2-[(1Z,2S)-1-amino-1-(aminohydrazinylidene)-3-[4-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]propan-2-yl]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1Z,2S)-1-amino-1-(aminohydrazinylidene)-3-[4-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]propan-2-yl]pentanoic acid
PubChem CID144957428
Molecular FormulaC24H34N6O3
Molecular Weight454.58 g/mol
Exact Mass454.27
IUPAC Name(2S)-2-[(1Z,2S)-1-amino-1-(aminohydrazinylidene)-3-[4-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]propan-2-yl]pentanoic acid
SMILESCCC[C@H](C(=O)O)[C@H](Cc1ccc(-c2cccc(OC3CCNCC3)n2)cc1)/C(N)=N/NN
InChIInChI=1S/C24H34N6O3/c1-2-4-19(24(31)32)20(23(25)29-30-26)15-16-7-9-17(10-8-16)21-5-3-6-22(28-21)33-18-11-13-27-14-12-18/h3,5-10,18-20,27,30H,2,4,11-15,26H2,1H3,(H2,25,29)(H,31,32)/t19-,20-/m0/s1
InChIKeyAESROWKTGGRDQU-PMACEKPBSA-N
XLogP2.27
TPSA147.88 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 52.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-[(1Z,2S)-1-amino-1-(aminohydrazinylidene)-3-[4-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]propan-2-yl]pentanoic acid with MolForge

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Related Compounds

(3S)-3-[(1S)-2-[4-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one
CID 129264780
(2S)-2-[(1Z,2S)-1-amino-1-(aminohydrazinylidene)-3-[4-(2-piperidin-1-yl-1,3-thiazol-5-yl)phenyl]propan-2-yl]pentanoic acid
CID 144957833
(2S)-2-[(1S)-2-[4-[6-[4-(ethylamino)butan-2-yloxy]-2-pyridinyl]phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 144957698
2-phenyl-5-(6-piperidin-4-yloxy-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 129186760
piperidin-4-yl (2R)-2-amino-3-phenylpropanoate
CID 173188794
(2R)-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118499935
(2S)-2-[(1S)-2-[4-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118506561
2-[2-[4-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 123854860
ethane;methyl 2-[(2,6-dichlorobenzoyl)amino]-3-(4-piperidin-4-yloxyphenyl)propanoate
CID 143522331
2-[(1S)-2-(4-carbamoylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 129240231
2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]-5-piperidin-4-ylpentanoic acid
CID 118499972
(1S,5R)-3-[(6-phenyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane
CID 53323531

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1Z,2S)-1-amino-1-(aminohydrazinylidene)-3-[4-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]propan-2-yl]pentanoic acid?
The IUPAC name of (2S)-2-[(1Z,2S)-1-amino-1-(aminohydrazinylidene)-3-[4-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]propan-2-yl]pentanoic acid (CID 144957428) is (2S)-2-[(1Z,2S)-1-amino-1-(aminohydrazinylidene)-3-[4-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]propan-2-yl]pentanoic acid.
What is the SMILES notation for (2S)-2-[(1Z,2S)-1-amino-1-(aminohydrazinylidene)-3-[4-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]propan-2-yl]pentanoic acid?
The canonical SMILES for (2S)-2-[(1Z,2S)-1-amino-1-(aminohydrazinylidene)-3-[4-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]propan-2-yl]pentanoic acid is CCC[C@H](C(=O)O)[C@H](Cc1ccc(-c2cccc(OC3CCNCC3)n2)cc1)/C(N)=N/NN.
What is the InChIKey of (2S)-2-[(1Z,2S)-1-amino-1-(aminohydrazinylidene)-3-[4-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]propan-2-yl]pentanoic acid?
The InChIKey is AESROWKTGGRDQU-PMACEKPBSA-N. The full InChI is InChI=1S/C24H34N6O3/c1-2-4-19(24(31)32)20(23(25)29-30-26)15-16-7-9-17(10-8-16)21-5-3-6-22(28-21)33-18-11-13-27-14-12-18/h3,5-10,18-20,27,30H,2,4,11-15,26H2,1H3,(H2,25,29)(H,31,32)/t19-,20-/m0/s1.
What are the key properties of (2S)-2-[(1Z,2S)-1-amino-1-(aminohydrazinylidene)-3-[4-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]propan-2-yl]pentanoic acid?
(2S)-2-[(1Z,2S)-1-amino-1-(aminohydrazinylidene)-3-[4-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]propan-2-yl]pentanoic acid has a molecular weight of 454.58 g/mol, XLogP of 2.27, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1Z,2S)-1-amino-1-(aminohydrazinylidene)-3-[4-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]propan-2-yl]pentanoic acid is sourced from PubChem (CID 144957428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).