(3S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-3-carboxamide

C18H25N3O2 — CID 94163114

IUPAC(3S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(CCC(=O)N[C@@H]2CCCc3ccccc32)C1
InChIInChI=1S/C18H25N3O2/c19-18(23)14-8-10-21(12-14)11-9-17(22)20-16-7-3-5-13-4-1-2-6-15(13)16/h1-2,4,6,14,16H,3,5,7-12H2,(H2,19,23)(H,20,22)/t14-,16+/m0/s1
InChIKeyKQWOWYBOMHVQJF-GOEBONIOSA-N
MW315.42 g/mol
LogP1.38
Rot. Bonds5

About (3S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-3-carboxamide

(3S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-3-carboxamide (PubChem CID 94163114) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (3S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-3-carboxamide
PubChem CID94163114
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(3S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(CCC(=O)N[C@@H]2CCCc3ccccc32)C1
InChIInChI=1S/C18H25N3O2/c19-18(23)14-8-10-21(12-14)11-9-17(22)20-16-7-3-5-13-4-1-2-6-15(13)16/h1-2,4,6,14,16H,3,5,7-12H2,(H2,19,23)(H,20,22)/t14-,16+/m0/s1
InChIKeyKQWOWYBOMHVQJF-GOEBONIOSA-N
XLogP1.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-3-carboxamide
CID 100840651
1-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]piperidine-4-carboxamide
CID 56810651
3-(4-hydroxypiperidin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 110882834
3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 112840502
3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 94199738
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
(2R)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid
CID 124703488
(2S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid
CID 125118742
3-phenothiazin-10-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2338826
1-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidine-1,4-dicarboxamide
CID 95351345
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 94821272

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-3-carboxamide (CID 94163114) is (3S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-3-carboxamide is NC(=O)[C@H]1CCN(CCC(=O)N[C@@H]2CCCc3ccccc32)C1.
What is the InChIKey of (3S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-3-carboxamide?
The InChIKey is KQWOWYBOMHVQJF-GOEBONIOSA-N. The full InChI is InChI=1S/C18H25N3O2/c19-18(23)14-8-10-21(12-14)11-9-17(22)20-16-7-3-5-13-4-1-2-6-15(13)16/h1-2,4,6,14,16H,3,5,7-12H2,(H2,19,23)(H,20,22)/t14-,16+/m0/s1.
What are the key properties of (3S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-3-carboxamide?
(3S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 94163114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).