(2S)-1-[2-(1-adamantylamino)acetyl]pyrrolidine-2-carbonitrile

C17H25N3O — CID 11129932

IUPAC(2S)-1-[2-(1-adamantylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25N3O/c18-10-15-2-1-3-20(15)16(21)11-19-17-7-12-4-13(8-17)6-14(5-12)9-17/h12-15,19H,1-9,11H2/t12?,13?,14?,15-,17?/m0/s1
InChIKeyGFJBFJGNXDVDDX-RDVIWEACSA-N
MW287.41 g/mol
LogP2.06
Rot. Bonds3

About (2S)-1-[2-(1-adamantylamino)acetyl]pyrrolidine-2-carbonitrile

(2S)-1-[2-(1-adamantylamino)acetyl]pyrrolidine-2-carbonitrile (PubChem CID 11129932) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (2S)-1-[2-(1-adamantylamino)acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[2-(1-adamantylamino)acetyl]pyrrolidine-2-carbonitrile
PubChem CID11129932
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(2S)-1-[2-(1-adamantylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25N3O/c18-10-15-2-1-3-20(15)16(21)11-19-17-7-12-4-13(8-17)6-14(5-12)9-17/h12-15,19H,1-9,11H2/t12?,13?,14?,15-,17?/m0/s1
InChIKeyGFJBFJGNXDVDDX-RDVIWEACSA-N
XLogP2.06
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Pyrrolidineacetamide, N-1-adamantyl-, monohydrochloride
CID 64211
1-{2-[(Adamantan-1-ylmethyl)-amino]-acetyl}-pyrrolidine-2-carbonitrile
CID 10902702
CID 44327160
CID 44327160
(2S,4S)-1-(N-1-Adamantylglycyl)-4-fluoropyrrolidine-2-carbonitrile
CID 44560184
(2S,4S)-1-[2-(2-adamantylamino)acetyl]-4-fluoropyrrolidine-2-carbonitrile
CID 44560185
1-[2-(3-Ethyl-adamantan-1-ylamino)-acetyl]-pyrrolidine-2-carbonitrile
CID 10947008
1-[2-(3,5-Dimethyl-adamantan-1-ylamino)-acetyl]-pyrrolidine-2-carbonitrile
CID 10958030
(2S,5R)-1-[2-(adamantan-1-ylamino)-acetyl]-pyrrolidine-2,5-dicarbonitrile
CID 11566450
[(2S)-1-[2-(1-adamantylamino)acetyl]pyrrolidin-2-yl]boronic acid
CID 44403405
2-(adamantan-1-ylamino)-1-[(2R)-2-(dihydroxyboranyl)pyrrolidin-1-yl]ethan-1-one
CID 44590734
2-(Adamantan-1-ylamino)-1-pyrrolidin-1-yl-ethanone
CID 10912330
Cambridge id 6101659
CID 2885947

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(1-adamantylamino)acetyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[2-(1-adamantylamino)acetyl]pyrrolidine-2-carbonitrile (CID 11129932) is (2S)-1-[2-(1-adamantylamino)acetyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[2-(1-adamantylamino)acetyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[2-(1-adamantylamino)acetyl]pyrrolidine-2-carbonitrile is N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2S)-1-[2-(1-adamantylamino)acetyl]pyrrolidine-2-carbonitrile?
The InChIKey is GFJBFJGNXDVDDX-RDVIWEACSA-N. The full InChI is InChI=1S/C17H25N3O/c18-10-15-2-1-3-20(15)16(21)11-19-17-7-12-4-13(8-17)6-14(5-12)9-17/h12-15,19H,1-9,11H2/t12?,13?,14?,15-,17?/m0/s1.
What are the key properties of (2S)-1-[2-(1-adamantylamino)acetyl]pyrrolidine-2-carbonitrile?
(2S)-1-[2-(1-adamantylamino)acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 287.41 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(1-adamantylamino)acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 11129932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).