2-[(3R)-3-(2-adamantylcarbamoyl)morpholin-4-yl]ethylcarbamic acid

C18H29N3O4 — CID 69334053

IUPAC2-[(3R)-3-(2-adamantylcarbamoyl)morpholin-4-yl]ethylcarbamic acid
SMILESO=C(O)NCCN1CCOC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H29N3O4/c22-17(15-10-25-4-3-21(15)2-1-19-18(23)24)20-16-13-6-11-5-12(8-13)9-14(16)7-11/h11-16,19H,1-10H2,(H,20,22)(H,23,24)/t11?,12?,13?,14?,15-,16?/m1/s1
InChIKeyKCLHQJLCFNEIRZ-BAPHQMLMSA-N
MW351.45 g/mol
LogP0.90
Rot. Bonds5

About 2-[(3R)-3-(2-adamantylcarbamoyl)morpholin-4-yl]ethylcarbamic acid

2-[(3R)-3-(2-adamantylcarbamoyl)morpholin-4-yl]ethylcarbamic acid (PubChem CID 69334053) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[(3R)-3-(2-adamantylcarbamoyl)morpholin-4-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[(3R)-3-(2-adamantylcarbamoyl)morpholin-4-yl]ethylcarbamic acid
PubChem CID69334053
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name2-[(3R)-3-(2-adamantylcarbamoyl)morpholin-4-yl]ethylcarbamic acid
SMILESO=C(O)NCCN1CCOC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H29N3O4/c22-17(15-10-25-4-3-21(15)2-1-19-18(23)24)20-16-13-6-11-5-12(8-13)9-14(16)7-11/h11-16,19H,1-10H2,(H,20,22)(H,23,24)/t11?,12?,13?,14?,15-,16?/m1/s1
InChIKeyKCLHQJLCFNEIRZ-BAPHQMLMSA-N
XLogP0.90
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(2-adamantylcarbamoyl)morpholin-4-yl]ethylcarbamic acid?
The IUPAC name of 2-[(3R)-3-(2-adamantylcarbamoyl)morpholin-4-yl]ethylcarbamic acid (CID 69334053) is 2-[(3R)-3-(2-adamantylcarbamoyl)morpholin-4-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[(3R)-3-(2-adamantylcarbamoyl)morpholin-4-yl]ethylcarbamic acid?
The canonical SMILES for 2-[(3R)-3-(2-adamantylcarbamoyl)morpholin-4-yl]ethylcarbamic acid is O=C(O)NCCN1CCOC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-[(3R)-3-(2-adamantylcarbamoyl)morpholin-4-yl]ethylcarbamic acid?
The InChIKey is KCLHQJLCFNEIRZ-BAPHQMLMSA-N. The full InChI is InChI=1S/C18H29N3O4/c22-17(15-10-25-4-3-21(15)2-1-19-18(23)24)20-16-13-6-11-5-12(8-13)9-14(16)7-11/h11-16,19H,1-10H2,(H,20,22)(H,23,24)/t11?,12?,13?,14?,15-,16?/m1/s1.
What are the key properties of 2-[(3R)-3-(2-adamantylcarbamoyl)morpholin-4-yl]ethylcarbamic acid?
2-[(3R)-3-(2-adamantylcarbamoyl)morpholin-4-yl]ethylcarbamic acid has a molecular weight of 351.45 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(2-adamantylcarbamoyl)morpholin-4-yl]ethylcarbamic acid is sourced from PubChem (CID 69334053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).