ditert-butyl (2S)-2-[(6-phenylpyridine-3-carbonyl)amino]pentanedioate

C25H32N2O5 — CID 174543173

IUPACditert-butyl (2S)-2-[(6-phenylpyridine-3-carbonyl)amino]pentanedioate
SMILESCC(C)(C)OC(=O)CC[C@H](NC(=O)c1ccc(-c2ccccc2)nc1)C(=O)OC(C)(C)C
InChIInChI=1S/C25H32N2O5/c1-24(2,3)31-21(28)15-14-20(23(30)32-25(4,5)6)27-22(29)18-12-13-19(26-16-18)17-10-8-7-9-11-17/h7-13,16,20H,14-15H2,1-6H3,(H,27,29)/t20-/m0/s1
InChIKeyFFMKWPUDECGTPG-FQEVSTJZSA-N
MW440.54 g/mol
LogP4.31
Rot. Bonds7

About ditert-butyl (2S)-2-[(6-phenylpyridine-3-carbonyl)amino]pentanedioate

ditert-butyl (2S)-2-[(6-phenylpyridine-3-carbonyl)amino]pentanedioate (PubChem CID 174543173) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is ditert-butyl (2S)-2-[(6-phenylpyridine-3-carbonyl)amino]pentanedioate.

Molecular Properties

Compound Nameditert-butyl (2S)-2-[(6-phenylpyridine-3-carbonyl)amino]pentanedioate
PubChem CID174543173
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Nameditert-butyl (2S)-2-[(6-phenylpyridine-3-carbonyl)amino]pentanedioate
SMILESCC(C)(C)OC(=O)CC[C@H](NC(=O)c1ccc(-c2ccccc2)nc1)C(=O)OC(C)(C)C
InChIInChI=1S/C25H32N2O5/c1-24(2,3)31-21(28)15-14-20(23(30)32-25(4,5)6)27-22(29)18-12-13-19(26-16-18)17-10-8-7-9-11-17/h7-13,16,20H,14-15H2,1-6H3,(H,27,29)/t20-/m0/s1
InChIKeyFFMKWPUDECGTPG-FQEVSTJZSA-N
XLogP4.31
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ditert-butyl (2S)-2-[(6-phenylpyridine-3-carbonyl)amino]pentanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(2S)-1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]carbamoyl]benzoic acid
CID 10884038
ditert-butyl (2R)-2-[[4-(ethylamino)benzoyl]amino]pentanedioate
CID 67876922
ditert-butyl (2S)-2-[[4-(1,3-thiazol-2-yl)benzoyl]amino]pentanedioate
CID 174543150
(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[(6-phenylpyridine-2-carbonyl)amino]pentanoic acid
CID 45142211
ditert-butyl (2S)-2-[[4-[(5-amino-6-cyanopyrazin-2-yl)-methylamino]benzoyl]amino]pentanedioate
CID 54257543
ditert-butyl (2S)-2-[[4-[(5-amino-6-cyanopyrazin-2-yl)methylamino]benzoyl]amino]pentanedioate
CID 15616232
tert-butyl 4-[[4-(4-aminophenyl)benzoyl]amino]-5-(benzylamino)-5-oxopentanoate
CID 67333000
ditert-butyl (2S)-2-[[4-[(4-aminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioate
CID 15616234
ditert-butyl (2S)-2-(phenylmethoxycarbonylaminocarbamoylamino)pentanedioate
CID 71275672
(4S)-5-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-5-oxo-4-[(6-phenylpyridine-3-carbonyl)amino]pentanoic acid
CID 67334874
ditert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 86647571
tert-butyl (2S)-2-benzamido-3-sulfanylpropanoate
CID 10564781

Frequently Asked Questions

What is the IUPAC name of ditert-butyl (2S)-2-[(6-phenylpyridine-3-carbonyl)amino]pentanedioate?
The IUPAC name of ditert-butyl (2S)-2-[(6-phenylpyridine-3-carbonyl)amino]pentanedioate (CID 174543173) is ditert-butyl (2S)-2-[(6-phenylpyridine-3-carbonyl)amino]pentanedioate.
What is the SMILES notation for ditert-butyl (2S)-2-[(6-phenylpyridine-3-carbonyl)amino]pentanedioate?
The canonical SMILES for ditert-butyl (2S)-2-[(6-phenylpyridine-3-carbonyl)amino]pentanedioate is CC(C)(C)OC(=O)CC[C@H](NC(=O)c1ccc(-c2ccccc2)nc1)C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl (2S)-2-[(6-phenylpyridine-3-carbonyl)amino]pentanedioate?
The InChIKey is FFMKWPUDECGTPG-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-24(2,3)31-21(28)15-14-20(23(30)32-25(4,5)6)27-22(29)18-12-13-19(26-16-18)17-10-8-7-9-11-17/h7-13,16,20H,14-15H2,1-6H3,(H,27,29)/t20-/m0/s1.
What are the key properties of ditert-butyl (2S)-2-[(6-phenylpyridine-3-carbonyl)amino]pentanedioate?
ditert-butyl (2S)-2-[(6-phenylpyridine-3-carbonyl)amino]pentanedioate has a molecular weight of 440.54 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl (2S)-2-[(6-phenylpyridine-3-carbonyl)amino]pentanedioate is sourced from PubChem (CID 174543173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).