2-[1-[(2S)-2-[[2-(6-amino-2-pyridinyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxyacetic acid

C23H28N4O6 — CID 70190055

IUPAC2-[1-[(2S)-2-[[2-(6-amino-2-pyridinyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxyacetic acid
SMILESNc1cccc(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC(OCC(=O)O)CC2)n1
InChIInChI=1S/C23H28N4O6/c24-20-3-1-2-16(25-20)13-21(29)26-19(12-15-4-6-17(28)7-5-15)23(32)27-10-8-18(9-11-27)33-14-22(30)31/h1-7,18-19,28H,8-14H2,(H2,24,25)(H,26,29)(H,30,31)/t19-/m0/s1
InChIKeyBYFIOXPHEXUCOK-IBGZPJMESA-N
MW456.50 g/mol
LogP0.73
Rot. Bonds9

About 2-[1-[(2S)-2-[[2-(6-amino-2-pyridinyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxyacetic acid

2-[1-[(2S)-2-[[2-(6-amino-2-pyridinyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxyacetic acid (PubChem CID 70190055) has the molecular formula C23H28N4O6 and a molecular weight of 456.50 g/mol. Its IUPAC name is 2-[1-[(2S)-2-[[2-(6-amino-2-pyridinyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(2S)-2-[[2-(6-amino-2-pyridinyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxyacetic acid
PubChem CID70190055
Molecular FormulaC23H28N4O6
Molecular Weight456.50 g/mol
Exact Mass456.20
IUPAC Name2-[1-[(2S)-2-[[2-(6-amino-2-pyridinyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxyacetic acid
SMILESNc1cccc(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC(OCC(=O)O)CC2)n1
InChIInChI=1S/C23H28N4O6/c24-20-3-1-2-16(25-20)13-21(29)26-19(12-15-4-6-17(28)7-5-15)23(32)27-10-8-18(9-11-27)33-14-22(30)31/h1-7,18-19,28H,8-14H2,(H2,24,25)(H,26,29)(H,30,31)/t19-/m0/s1
InChIKeyBYFIOXPHEXUCOK-IBGZPJMESA-N
XLogP0.73
TPSA155.08 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[1-[(2S)-2-[[2-(6-amino-2-pyridinyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxyacetic acid with MolForge

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Related Compounds

2-[1-[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]piperidin-4-yl]oxyacetic acid
CID 67715659
2-[1-[(2S)-3-(4-hydroxyphenyl)-2-[[4-(N'-propylcarbamimidoyl)benzoyl]amino]propanoyl]piperidin-4-yl]oxyacetic acid
CID 70048029
tert-butyl 2-[1-[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]piperidin-4-yl]oxyacetate
CID 54546036
2-[1-[(2S)-3-(4-methoxyphenyl)-2-(4-piperidin-4-ylbutanoylamino)propanoyl]piperidin-4-yl]oxyacetic acid
CID 54327573
2-[1-[(2S)-2-[(4-carbamimidoylbenzoyl)amino]-3-(4-hydroxy-3-iodophenyl)propanoyl]piperidin-4-yl]oxyacetic acid
CID 54514543
3-[1-[(2S)-3-(4-methoxyphenyl)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl]propanoic acid
CID 54409774
tert-butyl 2-[1-[(2S)-2-[(4-carbamimidoylbenzoyl)amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxyacetate
CID 10530090
2-[1-[(2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]piperidin-4-yl]oxyacetic acid
CID 67715334
tert-butyl 2-[1-[(2S)-2-[(4-cyanobenzoyl)amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxyacetate
CID 10767914
tert-butyl 2-[[(2S)-3-(4-hydroxyphenyl)-1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 139686549
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopentan-2-yl]-2-phenylacetamide
CID 119662177
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-2-[[2-(6-amino-2-pyridinyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(2S)-2-[[2-(6-amino-2-pyridinyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxyacetic acid (CID 70190055) is 2-[1-[(2S)-2-[[2-(6-amino-2-pyridinyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(2S)-2-[[2-(6-amino-2-pyridinyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(2S)-2-[[2-(6-amino-2-pyridinyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxyacetic acid is Nc1cccc(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC(OCC(=O)O)CC2)n1.
What is the InChIKey of 2-[1-[(2S)-2-[[2-(6-amino-2-pyridinyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is BYFIOXPHEXUCOK-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28N4O6/c24-20-3-1-2-16(25-20)13-21(29)26-19(12-15-4-6-17(28)7-5-15)23(32)27-10-8-18(9-11-27)33-14-22(30)31/h1-7,18-19,28H,8-14H2,(H2,24,25)(H,26,29)(H,30,31)/t19-/m0/s1.
What are the key properties of 2-[1-[(2S)-2-[[2-(6-amino-2-pyridinyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxyacetic acid?
2-[1-[(2S)-2-[[2-(6-amino-2-pyridinyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 456.50 g/mol, XLogP of 0.73, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-2-[[2-(6-amino-2-pyridinyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 70190055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).