(2R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide

C21H34N2O2 — CID 99811587

IUPAC(2R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H34N2O2/c1-13(2)20(25)23-6-4-5-18(23)19(24)22-14(3)21-10-15-7-16(11-21)9-17(8-15)12-21/h13-18H,4-12H2,1-3H3,(H,22,24)/t14-,15?,16?,17?,18+,21?/m0/s1
InChIKeyOSBSSEIQOCMQHY-PIKUFOSFSA-N
MW346.52 g/mol
LogP3.35
Rot. Bonds4

About (2R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide

(2R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (PubChem CID 99811587) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
PubChem CID99811587
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC Name(2R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H34N2O2/c1-13(2)20(25)23-6-4-5-18(23)19(24)22-14(3)21-10-15-7-16(11-21)9-17(8-15)12-21/h13-18H,4-12H2,1-3H3,(H,22,24)/t14-,15?,16?,17?,18+,21?/m0/s1
InChIKeyOSBSSEIQOCMQHY-PIKUFOSFSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]propanoic acid
CID 119349092
(2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 14607704
N-[(1R)-1-(1-adamantyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26523138
2-methyl-1-[(2S)-2-propanoylpyrrolidin-1-yl]propan-1-one
CID 121371179
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
(3R)-N-[(1R)-1-(1-adamantyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 92687204
1-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 156794409
(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 110286200
1-(adamantane-1-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 55609544
N-[1-(2-bromophenyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 55875729
N-[1-(1-adamantyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108509038
2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoic acid
CID 18485029

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (CID 99811587) is (2R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide is CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is OSBSSEIQOCMQHY-PIKUFOSFSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-13(2)20(25)23-6-4-5-18(23)19(24)22-14(3)21-10-15-7-16(11-21)9-17(8-15)12-21/h13-18H,4-12H2,1-3H3,(H,22,24)/t14-,15?,16?,17?,18+,21?/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
(2R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 346.52 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 99811587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).