(2R,3R)-2,3-dihydroxy-N-[6-(2-methylphenyl)-6-azaspiro[2.5]octan-2-yl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide

C28H35N3O4 — CID 70329181

IUPAC(2R,3R)-2,3-dihydroxy-N-[6-(2-methylphenyl)-6-azaspiro[2.5]octan-2-yl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide
SMILESCc1ccccc1N1CCC2(CC1)CC2NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C28H35N3O4/c1-19-8-5-6-11-21(19)30-16-13-28(14-17-30)18-23(28)29-26(34)24(32)25(33)27(35)31-15-7-12-22(31)20-9-3-2-4-10-20/h2-6,8-11,22-25,32-33H,7,12-18H2,1H3,(H,29,34)/t22-,23?,24-,25-/m1/s1
InChIKeyBDVKMZMTNMCAEE-MGHPKPITSA-N
MW477.61 g/mol
LogP2.56
Rot. Bonds6

About (2R,3R)-2,3-dihydroxy-N-[6-(2-methylphenyl)-6-azaspiro[2.5]octan-2-yl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide

(2R,3R)-2,3-dihydroxy-N-[6-(2-methylphenyl)-6-azaspiro[2.5]octan-2-yl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide (PubChem CID 70329181) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxy-N-[6-(2-methylphenyl)-6-azaspiro[2.5]octan-2-yl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxy-N-[6-(2-methylphenyl)-6-azaspiro[2.5]octan-2-yl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide
PubChem CID70329181
Molecular FormulaC28H35N3O4
Molecular Weight477.61 g/mol
Exact Mass477.26
IUPAC Name(2R,3R)-2,3-dihydroxy-N-[6-(2-methylphenyl)-6-azaspiro[2.5]octan-2-yl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide
SMILESCc1ccccc1N1CCC2(CC1)CC2NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C28H35N3O4/c1-19-8-5-6-11-21(19)30-16-13-28(14-17-30)18-23(28)29-26(34)24(32)25(33)27(35)31-15-7-12-22(31)20-9-3-2-4-10-20/h2-6,8-11,22-25,32-33H,7,12-18H2,1H3,(H,29,34)/t22-,23?,24-,25-/m1/s1
InChIKeyBDVKMZMTNMCAEE-MGHPKPITSA-N
XLogP2.56
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,3R)-2,3-dihydroxy-N-[6-(2-methylphenyl)-6-azaspiro[2.5]octan-2-yl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide 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

(2R,3R)-N-[2-(2,3-dihydrothiophen-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-[(2S)-2-phenylpyrrolidin-1-yl]butanamide
CID 70329892
N-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2S)-2-phenylpyrrolidin-1-yl]butanamide
CID 58923074
(2R,3R)-N-[[4-(2-aminophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide
CID 70329650
(2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 43575411
(2R,3R)-2,3-dihydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide
CID 58751924
N-benzyl-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide
CID 73048238
N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;ethane
CID 143479266
(2R,3R)-N-[2-(4-benzyl-1,3-oxazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide
CID 46229873
(2R,3R)-N-[(5-benzyl-2,3-dihydrothiophen-2-yl)methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide
CID 70329937
(4-methylpiperidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 63121925
(2R,3R)-N-[[1-(2-aminophenyl)piperidin-4-yl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide
CID 70329349
(2R,3R)-N-[[4-(3-bromothiophen-2-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide
CID 143479525

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxy-N-[6-(2-methylphenyl)-6-azaspiro[2.5]octan-2-yl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide?
The IUPAC name of (2R,3R)-2,3-dihydroxy-N-[6-(2-methylphenyl)-6-azaspiro[2.5]octan-2-yl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide (CID 70329181) is (2R,3R)-2,3-dihydroxy-N-[6-(2-methylphenyl)-6-azaspiro[2.5]octan-2-yl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide.
What is the SMILES notation for (2R,3R)-2,3-dihydroxy-N-[6-(2-methylphenyl)-6-azaspiro[2.5]octan-2-yl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide?
The canonical SMILES for (2R,3R)-2,3-dihydroxy-N-[6-(2-methylphenyl)-6-azaspiro[2.5]octan-2-yl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide is Cc1ccccc1N1CCC2(CC1)CC2NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-2,3-dihydroxy-N-[6-(2-methylphenyl)-6-azaspiro[2.5]octan-2-yl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide?
The InChIKey is BDVKMZMTNMCAEE-MGHPKPITSA-N. The full InChI is InChI=1S/C28H35N3O4/c1-19-8-5-6-11-21(19)30-16-13-28(14-17-30)18-23(28)29-26(34)24(32)25(33)27(35)31-15-7-12-22(31)20-9-3-2-4-10-20/h2-6,8-11,22-25,32-33H,7,12-18H2,1H3,(H,29,34)/t22-,23?,24-,25-/m1/s1.
What are the key properties of (2R,3R)-2,3-dihydroxy-N-[6-(2-methylphenyl)-6-azaspiro[2.5]octan-2-yl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide?
(2R,3R)-2,3-dihydroxy-N-[6-(2-methylphenyl)-6-azaspiro[2.5]octan-2-yl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide has a molecular weight of 477.61 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxy-N-[6-(2-methylphenyl)-6-azaspiro[2.5]octan-2-yl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide is sourced from PubChem (CID 70329181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).