(2S)-1-(adamantane-1-carbonyl)-N-cyclopropyl-N-methylpyrrolidine-2-carboxamide

C20H30N2O2 — CID 97060885

IUPAC(2S)-1-(adamantane-1-carbonyl)-N-cyclopropyl-N-methylpyrrolidine-2-carboxamide
SMILESCN(C(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C1CC1
InChIInChI=1S/C20H30N2O2/c1-21(16-4-5-16)18(23)17-3-2-6-22(17)19(24)20-10-13-7-14(11-20)9-15(8-13)12-20/h13-17H,2-12H2,1H3/t13?,14?,15?,17-,20?/m0/s1
InChIKeyVIKZKWSMYMWXNK-SOZFHFLDSA-N
MW330.47 g/mol
LogP2.81
Rot. Bonds3

About (2S)-1-(adamantane-1-carbonyl)-N-cyclopropyl-N-methylpyrrolidine-2-carboxamide

(2S)-1-(adamantane-1-carbonyl)-N-cyclopropyl-N-methylpyrrolidine-2-carboxamide (PubChem CID 97060885) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is (2S)-1-(adamantane-1-carbonyl)-N-cyclopropyl-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(adamantane-1-carbonyl)-N-cyclopropyl-N-methylpyrrolidine-2-carboxamide
PubChem CID97060885
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name(2S)-1-(adamantane-1-carbonyl)-N-cyclopropyl-N-methylpyrrolidine-2-carboxamide
SMILESCN(C(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C1CC1
InChIInChI=1S/C20H30N2O2/c1-21(16-4-5-16)18(23)17-3-2-6-22(17)19(24)20-10-13-7-14(11-20)9-15(8-13)12-20/h13-17H,2-12H2,1H3/t13?,14?,15?,17-,20?/m0/s1
InChIKeyVIKZKWSMYMWXNK-SOZFHFLDSA-N
XLogP2.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(adamantane-1-carbonyl)-N-cyclopropyl-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(adamantane-1-carbonyl)-N-cyclopropyl-N-methylpyrrolidine-2-carboxamide (CID 97060885) is (2S)-1-(adamantane-1-carbonyl)-N-cyclopropyl-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(adamantane-1-carbonyl)-N-cyclopropyl-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(adamantane-1-carbonyl)-N-cyclopropyl-N-methylpyrrolidine-2-carboxamide is CN(C(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C1CC1.
What is the InChIKey of (2S)-1-(adamantane-1-carbonyl)-N-cyclopropyl-N-methylpyrrolidine-2-carboxamide?
The InChIKey is VIKZKWSMYMWXNK-SOZFHFLDSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-21(16-4-5-16)18(23)17-3-2-6-22(17)19(24)20-10-13-7-14(11-20)9-15(8-13)12-20/h13-17H,2-12H2,1H3/t13?,14?,15?,17-,20?/m0/s1.
What are the key properties of (2S)-1-(adamantane-1-carbonyl)-N-cyclopropyl-N-methylpyrrolidine-2-carboxamide?
(2S)-1-(adamantane-1-carbonyl)-N-cyclopropyl-N-methylpyrrolidine-2-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(adamantane-1-carbonyl)-N-cyclopropyl-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 97060885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).