(2S)-N-(3-hydroxy-1-adamantyl)-1-methylpyrrolidine-2-carboxamide

C16H26N2O2 — CID 131914978

IUPAC(2S)-N-(3-hydroxy-1-adamantyl)-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCC[C@H]1C(=O)NC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C16H26N2O2/c1-18-4-2-3-13(18)14(19)17-15-6-11-5-12(7-15)9-16(20,8-11)10-15/h11-13,20H,2-10H2,1H3,(H,17,19)/t11?,12?,13-,15?,16?/m0/s1
InChIKeyZXTVCINZIJIZCL-JFQZXIRVSA-N
MW278.40 g/mol
LogP1.28
Rot. Bonds2

About (2S)-N-(3-hydroxy-1-adamantyl)-1-methylpyrrolidine-2-carboxamide

(2S)-N-(3-hydroxy-1-adamantyl)-1-methylpyrrolidine-2-carboxamide (PubChem CID 131914978) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-N-(3-hydroxy-1-adamantyl)-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-hydroxy-1-adamantyl)-1-methylpyrrolidine-2-carboxamide
PubChem CID131914978
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2S)-N-(3-hydroxy-1-adamantyl)-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCC[C@H]1C(=O)NC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C16H26N2O2/c1-18-4-2-3-13(18)14(19)17-15-6-11-5-12(7-15)9-16(20,8-11)10-15/h11-13,20H,2-10H2,1H3,(H,17,19)/t11?,12?,13-,15?,16?/m0/s1
InChIKeyZXTVCINZIJIZCL-JFQZXIRVSA-N
XLogP1.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Vildagliptin
CID 6918537
(-)-(2S)-1-(((3-Hydroxytricyclo(3.3.1.1(3,7))dec-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile
CID 11077541
1-(2-((3-Hydroxyadamantan-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile
CID 5251896
(2S,5R)-1-[2-(3-hydroxy-adamantan-1-ylamino)-acetyl]-pyrrolidine-2,5-dicarbonitrile
CID 11616861
(2S,4S)-4-Fluoro-1-[N-(3-hydroxy-1-adamantyl)-glycyl]pyrrolidine-2-carbonitrile
CID 44560186
Vildagliptinboronic acid
CID 53486200
L-Proline, N-(3-hydroxytricyclo(3.3.1.13,7)dec-1-yl)glycyl-
CID 46783242
1-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(3-hydroxy-1-adamantyl)amino]ethanone
CID 44433969
[(5S,7R)-3-hydroxy-1-adamantyl]-[2-[(2S)-2-methanimidoylpyrrolidin-1-yl]-2-oxoethyl]azanium
CID 78225474
Vildagliptin carboxy acid metabolite
CID 11023706
1-[2-(3-Hydroxy-adamantan-1-ylamino)-acetyl]-pyrrolidine-2-carboxylic acid amide
CID 11067211
(2S)-1-[2-[[(5R,7R)-3-hydroxy-1-adamantyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 98043046

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-hydroxy-1-adamantyl)-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-hydroxy-1-adamantyl)-1-methylpyrrolidine-2-carboxamide (CID 131914978) is (2S)-N-(3-hydroxy-1-adamantyl)-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-hydroxy-1-adamantyl)-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-hydroxy-1-adamantyl)-1-methylpyrrolidine-2-carboxamide is CN1CCC[C@H]1C(=O)NC12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of (2S)-N-(3-hydroxy-1-adamantyl)-1-methylpyrrolidine-2-carboxamide?
The InChIKey is ZXTVCINZIJIZCL-JFQZXIRVSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-18-4-2-3-13(18)14(19)17-15-6-11-5-12(7-15)9-16(20,8-11)10-15/h11-13,20H,2-10H2,1H3,(H,17,19)/t11?,12?,13-,15?,16?/m0/s1.
What are the key properties of (2S)-N-(3-hydroxy-1-adamantyl)-1-methylpyrrolidine-2-carboxamide?
(2S)-N-(3-hydroxy-1-adamantyl)-1-methylpyrrolidine-2-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-hydroxy-1-adamantyl)-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 131914978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).