(2S)-1-[[3-[[(3R)-spiro[3.3]heptan-3-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

C19H27N3O — CID 129481757

IUPAC(2S)-1-[[3-[[(3R)-spiro[3.3]heptan-3-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1Cc1cccc(N[C@@H]2CCC23CCC3)c1
InChIInChI=1S/C19H27N3O/c20-18(23)16-6-2-11-22(16)13-14-4-1-5-15(12-14)21-17-7-10-19(17)8-3-9-19/h1,4-5,12,16-17,21H,2-3,6-11,13H2,(H2,20,23)/t16-,17+/m0/s1
InChIKeyJAGFGSLYYTUKCQ-DLBZAZTESA-N
MW313.45 g/mol
LogP2.88
Rot. Bonds5

About (2S)-1-[[3-[[(3R)-spiro[3.3]heptan-3-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

(2S)-1-[[3-[[(3R)-spiro[3.3]heptan-3-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 129481757) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is (2S)-1-[[3-[[(3R)-spiro[3.3]heptan-3-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[[3-[[(3R)-spiro[3.3]heptan-3-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID129481757
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name(2S)-1-[[3-[[(3R)-spiro[3.3]heptan-3-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1Cc1cccc(N[C@@H]2CCC23CCC3)c1
InChIInChI=1S/C19H27N3O/c20-18(23)16-6-2-11-22(16)13-14-4-1-5-15(12-14)21-17-7-10-19(17)8-3-9-19/h1,4-5,12,16-17,21H,2-3,6-11,13H2,(H2,20,23)/t16-,17+/m0/s1
InChIKeyJAGFGSLYYTUKCQ-DLBZAZTESA-N
XLogP2.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[[3-[[(3R)-spiro[3.3]heptan-3-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

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CID 60560462
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1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
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1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide
CID 21105013

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[3-[[(3R)-spiro[3.3]heptan-3-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[[3-[[(3R)-spiro[3.3]heptan-3-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (CID 129481757) is (2S)-1-[[3-[[(3R)-spiro[3.3]heptan-3-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[[3-[[(3R)-spiro[3.3]heptan-3-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[[3-[[(3R)-spiro[3.3]heptan-3-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1Cc1cccc(N[C@@H]2CCC23CCC3)c1.
What is the InChIKey of (2S)-1-[[3-[[(3R)-spiro[3.3]heptan-3-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is JAGFGSLYYTUKCQ-DLBZAZTESA-N. The full InChI is InChI=1S/C19H27N3O/c20-18(23)16-6-2-11-22(16)13-14-4-1-5-15(12-14)21-17-7-10-19(17)8-3-9-19/h1,4-5,12,16-17,21H,2-3,6-11,13H2,(H2,20,23)/t16-,17+/m0/s1.
What are the key properties of (2S)-1-[[3-[[(3R)-spiro[3.3]heptan-3-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
(2S)-1-[[3-[[(3R)-spiro[3.3]heptan-3-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 313.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[3-[[(3R)-spiro[3.3]heptan-3-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 129481757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).