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

C19H33N3O5 — CID 6723442

IUPAC(2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-morpholin-4-ylpropanamide
SMILESCC1(C)C2CCC1(C)C(O)C2CC(=O)N[C@@H](CO)C(=O)NN1CCOCC1
InChIInChI=1S/C19H33N3O5/c1-18(2)13-4-5-19(18,3)16(25)12(13)10-15(24)20-14(11-23)17(26)21-22-6-8-27-9-7-22/h12-14,16,23,25H,4-11H2,1-3H3,(H,20,24)(H,21,26)/t12?,13?,14-,16?,19?/m0/s1
InChIKeyXVPQSENUWWWVOO-KPOYBBBXSA-N
MW383.49 g/mol
LogP-0.35
Rot. Bonds6

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

(2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-morpholin-4-ylpropanamide (PubChem CID 6723442) has the molecular formula C19H33N3O5 and a molecular weight of 383.49 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-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-morpholin-4-ylpropanamide
PubChem CID6723442
Molecular FormulaC19H33N3O5
Molecular Weight383.49 g/mol
Exact Mass383.24
IUPAC Name(2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-morpholin-4-ylpropanamide
SMILESCC1(C)C2CCC1(C)C(O)C2CC(=O)N[C@@H](CO)C(=O)NN1CCOCC1
InChIInChI=1S/C19H33N3O5/c1-18(2)13-4-5-19(18,3)16(25)12(13)10-15(24)20-14(11-23)17(26)21-22-6-8-27-9-7-22/h12-14,16,23,25H,4-11H2,1-3H3,(H,20,24)(H,21,26)/t12?,13?,14-,16?,19?/m0/s1
InChIKeyXVPQSENUWWWVOO-KPOYBBBXSA-N
XLogP-0.35
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 5-0.35
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-morpholin-4-ylpropanamide with MolForge

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

Launch Full Analysis

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-morpholin-4-ylpropanamide?
The IUPAC name of (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) is (2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-morpholin-4-ylpropanamide.
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-morpholin-4-ylpropanamide?
The canonical SMILES for (2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-morpholin-4-ylpropanamide is CC1(C)C2CCC1(C)C(O)C2CC(=O)N[C@@H](CO)C(=O)NN1CCOCC1.
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-morpholin-4-ylpropanamide?
The InChIKey is XVPQSENUWWWVOO-KPOYBBBXSA-N. The full InChI is InChI=1S/C19H33N3O5/c1-18(2)13-4-5-19(18,3)16(25)12(13)10-15(24)20-14(11-23)17(26)21-22-6-8-27-9-7-22/h12-14,16,23,25H,4-11H2,1-3H3,(H,20,24)(H,21,26)/t12?,13?,14-,16?,19?/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-morpholin-4-ylpropanamide?
(2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-morpholin-4-ylpropanamide has a molecular weight of 383.49 g/mol, XLogP of -0.35, 6 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-morpholin-4-ylpropanamide is sourced from PubChem (CID 6723442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).