(2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide

C21H37N3O5 — CID 6723470

IUPAC(2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC1(C)C2CCC1(C)C(O)C2CC(=O)N[C@@H](CO)C(=O)NCCN1CCOCC1
InChIInChI=1S/C21H37N3O5/c1-20(2)15-4-5-21(20,3)18(27)14(15)12-17(26)23-16(13-25)19(28)22-6-7-24-8-10-29-11-9-24/h14-16,18,25,27H,4-13H2,1-3H3,(H,22,28)(H,23,26)/t14?,15?,16-,18?,21?/m0/s1
InChIKeyATANCJULQFBZKK-BVZDLGFHSA-N
MW411.54 g/mol
LogP-0.26
Rot. Bonds8

About (2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide

(2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 6723470) has the molecular formula C21H37N3O5 and a molecular weight of 411.54 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID6723470
Molecular FormulaC21H37N3O5
Molecular Weight411.54 g/mol
Exact Mass411.27
IUPAC Name(2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC1(C)C2CCC1(C)C(O)C2CC(=O)N[C@@H](CO)C(=O)NCCN1CCOCC1
InChIInChI=1S/C21H37N3O5/c1-20(2)15-4-5-21(20,3)18(27)14(15)12-17(26)23-16(13-25)19(28)22-6-7-24-8-10-29-11-9-24/h14-16,18,25,27H,4-13H2,1-3H3,(H,22,28)(H,23,26)/t14?,15?,16-,18?,21?/m0/s1
InChIKeyATANCJULQFBZKK-BVZDLGFHSA-N
XLogP-0.26
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide with MolForge

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Related Compounds

(2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-morpholin-4-ylpropanamide
CID 6723442
N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 6723457
2,3,4,5,6-pentafluoro-N-[(2S)-3-hydroxy-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]benzamide
CID 6724423
N-[(2S)-3-hydroxy-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide
CID 6722752
(2S)-3-hydroxy-N-(2-morpholin-4-ylethyl)-2-(2-phenylpropanoylamino)propanamide
CID 6722979
(2S)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 6723132
1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095713
1-N'-butan-2-yl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108971375
2-amino-N-(2-morpholin-4-ylethyl)propanamide;dihydrochloride
CID 119827782
(2S)-2-amino-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide
CID 83340454
2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 108993688
1-amino-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 64548791

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of (2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide (CID 6723470) is (2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for (2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for (2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide is CC1(C)C2CCC1(C)C(O)C2CC(=O)N[C@@H](CO)C(=O)NCCN1CCOCC1.
What is the InChIKey of (2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is ATANCJULQFBZKK-BVZDLGFHSA-N. The full InChI is InChI=1S/C21H37N3O5/c1-20(2)15-4-5-21(20,3)18(27)14(15)12-17(26)23-16(13-25)19(28)22-6-7-24-8-10-29-11-9-24/h14-16,18,25,27H,4-13H2,1-3H3,(H,22,28)(H,23,26)/t14?,15?,16-,18?,21?/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide?
(2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 411.54 g/mol, XLogP of -0.26, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 6723470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).