(2S)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]butanamide

C16H25N3O — CID 129427222

IUPAC(2S)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]butanamide
SMILESCC[C@@H](C(N)=O)N1CCC[C@H]1c1cccc(N(C)C)c1
InChIInChI=1S/C16H25N3O/c1-4-14(16(17)20)19-10-6-9-15(19)12-7-5-8-13(11-12)18(2)3/h5,7-8,11,14-15H,4,6,9-10H2,1-3H3,(H2,17,20)/t14-,15-/m0/s1
InChIKeyMVKDPXSFXPNUHG-GJZGRUSLSA-N
MW275.40 g/mol
LogP2.15
Rot. Bonds5

About (2S)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]butanamide

(2S)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]butanamide (PubChem CID 129427222) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]butanamide
PubChem CID129427222
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(2S)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]butanamide
SMILESCC[C@@H](C(N)=O)N1CCC[C@H]1c1cccc(N(C)C)c1
InChIInChI=1S/C16H25N3O/c1-4-14(16(17)20)19-10-6-9-15(19)12-7-5-8-13(11-12)18(2)3/h5,7-8,11,14-15H,4,6,9-10H2,1-3H3,(H2,17,20)/t14-,15-/m0/s1
InChIKeyMVKDPXSFXPNUHG-GJZGRUSLSA-N
XLogP2.15
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]butanamide?
The IUPAC name of (2S)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]butanamide (CID 129427222) is (2S)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]butanamide.
What is the SMILES notation for (2S)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]butanamide?
The canonical SMILES for (2S)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]butanamide is CC[C@@H](C(N)=O)N1CCC[C@H]1c1cccc(N(C)C)c1.
What is the InChIKey of (2S)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]butanamide?
The InChIKey is MVKDPXSFXPNUHG-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-14(16(17)20)19-10-6-9-15(19)12-7-5-8-13(11-12)18(2)3/h5,7-8,11,14-15H,4,6,9-10H2,1-3H3,(H2,17,20)/t14-,15-/m0/s1.
What are the key properties of (2S)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]butanamide?
(2S)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]butanamide has a molecular weight of 275.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]butanamide is sourced from PubChem (CID 129427222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).